Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21352231 | 0.76 | TSHR (0.34) | ALDH1A1TDP1CYP2A6SMN1; SMN2 | |
| SCHEMBL7813778 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL29766167 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL362051 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL31134997 | 0.72 | CYP11B1 (0.39) | ALDH1A1ATMTDP1CYP1A2KDM4E | |
| SCHEMBL1864362 | 0.71 | PKM (0.31) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL4479531 | 0.69 | — | — | |
| SCHEMBL29352228 | 0.66 | — | — | |
| SCHEMBL180042 | 0.66 | — | — | |
| SCHEMBL29394037 | 0.65 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372493-B | Method for synthesizing diflunisal and derivatives thereof by one-step method | 北京师范大学 | 2020-09-08 | — | — | CN | claimed |
| EP-1120397-A2 | Process for preparing triazole derivative | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-08-01 | — | — | EP | claimed |
| EP-0704419-A1 | PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-04-03 | — | — | EP | claimed |
| CN-110372493-B | Method for synthesizing diflunisal and derivatives thereof by one-step method | 北京师范大学 | 2020-09-08 | — | — | CN | disclosed |
| US-20190284192-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) | 2019-09-19 | — | — | US | disclosed |
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| EP-1120397-A2 | Process for preparing triazole derivative | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-08-01 | — | — | EP | disclosed |
| EP-0704419-B1 | PROCESS FOR PRODUCING AN OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL | KANEGAFUCHI CHEMICAL IND (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-6046354-A | CHEMICAL INTERMEDIATES, E.G. 2-ARYL-1,3-DIACYLOXY-2-PROPANOL, FOR DRUGS AND FUNGICIDES,E.G. (R)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPANE-1,2-DIOL, | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-04-04 | — | — | US | disclosed |
| US-5840553-A | OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5654472-A | OPTICALLY PURE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL COMPOUNDS; CHEMICAL INTERMEDIATES | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0704419-A1 | PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-04-03 | — | — | EP | 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 (1 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-20190284192-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | MYC, BRD1, BRD3 | ALDH1A1 4457/4885CES2 4434/4885CES1 4011/4885 |
“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.