Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGDS | O60760 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18526617 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL12139802 | 0.89 | HPGDS (0.51) | ALDH1A1HPGDSHSD17B10TSHRNR1I2 | |
| SCHEMBL19225799 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL12139787 | 0.86 | HPGDS (0.45) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL18829237 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL18057081 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL483056 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL2711186 | 0.86 | UCHL1 (0.44) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL45250 | 0.86 | UCHL1 (0.44) | ALDH1A1HPGDSHSD17B10TSHRMEN1 | |
| SCHEMBL483330 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDSHSD17B10TSHRMEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725464-B2 | Process for preparing tetracyclic heterocycle compounds | MERCK SHARP & DOHME CORP. (US) | 2017-08-08 | — | — | US | disclosed |
| US-9493446-B2 | Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-11-15 | — | — | US | disclosed |
| US-20160257698-A1 | PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-09-08 | — | — | US | disclosed |
| US-20150252032-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| US-20130296311-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-11-07 | — | — | US | disclosed |
| US-8575135-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-8575135-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| WO-2012003642-A1 | FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | WO | disclosed |
| WO-2011150243-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011079327-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-30 | — | — | WO | 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 (3 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-20130296311-A1 | INHIBITORS OF HCV NS5A | HAVCR2, MAVS, EIF2AK2 | ALDH1A1 3492/4885HPGDS 2085/4885HSD17B10 2251/4885 |
| US-20150252032-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | HCRTR2, HCRTR1, OXTR | ALDH1A1 1086/4885HPGDS 2939/4885HSD17B10 778/4885 |
| US-20160257698-A1 | PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS | GTF3C5, HCCS, GTF3C1 | ALDH1A1 1312/4885HPGDS 1004/4885HSD17B10 983/4885 |
“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.