Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.61 |
| ▸ | CES1 | P23141 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 5/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17102130 | 0.98 | CES2 (0.59) | CES2CES1ALDH1A1KEAP1MAPT | |
| SCHEMBL31529633 | 0.84 | CES2 (0.61) | CES2CES1KEAP1 | |
| SCHEMBL19104747 | 0.84 | CES2 (0.61) | CES2CES1KEAP1 | |
| SCHEMBL28289421 | 0.83 | CES2 (0.55) | CES2CES1ALDH1A1KEAP1MAPT | |
| Hydrochloric Acid SCHEMBL30444188 | 0.82 | CES2 (0.59) | CES2CES1 | |
| Hydrochloric Acid SCHEMBL19817282 | 0.82 | CES2 (0.59) | CES2CES1 | |
| Hydrochloric Acid SCHEMBL28432740 | 0.82 | CES2 (0.53) | CES2CES1ALDH1A1KEAP1MAPT | |
| SCHEMBL27764538 | 0.82 | CES2 (0.63) | CES2CES1ALDH1A1KEAP1MAPT | |
| SCHEMBL21509855 | 0.82 | CES2 (0.63) | CES2CES1ALDH1A1KEAP1MAPT | |
| SCHEMBL3094911 | 0.80 | CES2 (0.61) | CES2CES1ALDH1A1KEAP1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109651203-A | Preparation method of intermediate of DP-IV inhibitor augustine | 河南医学高等专科学校 | 2019-04-19 | — | — | CN | claimed |
| US-20240124408-A1 | Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application | SANOFI (FR) | 2024-04-18 | — | — | US | disclosed |
| EP-3271344-B1 | PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS | FIS FABBRICA ITALIANA SINTETICI SPA (IT) | 2020-08-26 | — | — | EP | disclosed |
| WO-2017093209-A1 | PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2017-06-08 | — | — | WO | disclosed |
| US-9481680-B2 | Process for the preparation of key intermediates of omarigliptin | F.I.S.—FABBRICA ITALIANA SINTETICI S.P.A (IT) | 2016-11-01 | — | — | US | disclosed |
| US-9481680-B2 | Process for the preparation of key intermediates of omarigliptin | F.I.S.—FABBRICA ITALIANA SINTETICI S.P.A (IT) | 2016-11-01 | — | — | US | disclosed |
| US-20160200727-A1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | F.I.S.- FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2016-07-14 | — | — | US | disclosed |
| US-20160200727-A1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | F.I.S.- FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2016-07-14 | — | — | US | disclosed |
| EP-2997008-B1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | ITALIANA SINT SPA (IT) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015139859-A1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2015-09-24 | — | — | WO | disclosed |
| US-20150111895-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | CONCERT PHARMACEUTICALS INC (US) | 2015-04-23 | — | — | US | disclosed |
| US-8921366-B2 | Substituted triazolo-pyridazine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| EP-2229170-B1 | KINESIN INHIBITORS AS CANCER THERAPEUTICS | NOVARTIS AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-20130225590-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2013-08-29 | — | — | US | disclosed |
| US-8399467-B2 | Substituted triazolo-pyridazine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120070370-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | MERCK SHARP & DOHME CORP. | 2012-03-22 | — | — | US | disclosed |
| US-20120004236-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2012-01-05 | — | — | US | disclosed |
| US-20110171172-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-07-14 | — | — | US | disclosed |
| US-20110123435-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME LLC | 2011-05-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160200727-A1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | SI, OSTC, VIP | CES2 3492/4885CES1 811/4885ALDH1A1 3011/4885 |
| US-20120004236-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | GABRA5, GABRA2, GABRA3 | CES2 1769/4885CES1 1466/4885ALDH1A1 729/4885 |
| US-20120070370-A1 | SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS | KIF2C, SKP1, KIF5B | CES2 3632/4885CES1 1767/4885ALDH1A1 1081/4885 |
| US-20150111895-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | GABRA5, GABRA2, GABRA3 | CES2 1769/4885CES1 1466/4885ALDH1A1 729/4885 |
| US-20110123435-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | KIF5B, KIF2C, KIFC1 | CES2 3392/4885CES1 2203/4885ALDH1A1 2214/4885 |
| US-20240124408-A1 | Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application | TRPM8, TAS2R8, TRPM7 | CES2 2180/4885CES1 2092/4885ALDH1A1 3565/4885 |
| US-20110171172-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | KIF5B, KIF2C, KIFC1 | CES2 3579/4885CES1 2491/4885ALDH1A1 1933/4885 |
| US-20130225590-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | GABRA5, GABRA2, GABRA3 | CES2 1769/4885CES1 1466/4885ALDH1A1 729/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.