Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12851366 | 0.80 | HTT (0.57) | HSP90AA1HTTMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13889749 | 0.80 | HTT (0.57) | HSP90AA1HTTMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7525628 | 0.80 | HTT (0.57) | HSP90AA1HTTMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5604522 | 0.77 | KMT2A (0.51) | ALDH1A1LMNAKEAP1KMT2APKM | |
| SCHEMBL525688 | 0.75 | ALDH1A1 (0.43) | MAPK1SMN1; SMN2ALDH1A1CYP2A6LMNA | |
| SCHEMBL4780708 | 0.71 | PSIP1 (0.44) | ALDH1A1CYP2A6LMNAKMT2ATSHR | |
| SCHEMBL971099 | 0.70 | CA2 (0.46) | SMN1; SMN2ALDH1A1CYP2A6LMNAKMT2A | |
| SCHEMBL332246 | 0.70 | TSHR (0.46) | SMN1; SMN2ALDH1A1CYP2A6LMNAKMT2A | |
| SCHEMBL6894603 | 0.70 | HTT (0.40) | HTTSMN1; SMN2ALDH1A1CYP2A6LMNA | |
| SCHEMBL7803522 | 0.70 | PPARG (0.44) | HTTSMN1; SMN2ALDH1A1CYP2A6LMNA |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0438230-B1 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME (GB) | 1997-04-23 | — | — | EP | claimed |
| WO-2007022437-A2 | THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER AND METABOLIC DISORDERS | AUSPEX PHARMACEUTICALS, INC. (US) | 2007-02-22 | — | — | WO | disclosed |
| US-5902819-A | Triazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1999-05-11 | — | — | US | disclosed |
| EP-0501568-B1 | Substituted cyclic sulphamide derivatives | MERCK SHARP & DOHME (GB) | 1997-08-20 | — | — | EP | disclosed |
| EP-0438230-B1 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME (GB) | 1997-04-23 | — | — | EP | disclosed |
| US-5607957-A | CONTAINING ALSO INDOLE, BENZOFURAN, BENZTHIOPHENE OR INDAZOLE MOIETY; METHOD FOR TREATMENT AND/OR PREVENTION OF CLINICAL CONDITIONS FOR WHICH A SELECTIVE AGONIST OF 5-HT1-LIKE RECEPTORS IS INDICATED | MERCK SHARP & DOHME LTD. (GB) | 1997-03-04 | — | — | US | disclosed |
| US-5602163-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| EP-0741722-A1 | TRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-11-13 | — | — | EP | disclosed |
| US-5567726-A | SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS | MERCK, SHARP & DOHME LTD. (GB) | 1996-10-22 | — | — | US | disclosed |
| WO-1993021182-A1 | HETEROAROMATIC 5-HYDROXYTRYPTAMINE RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |
| WO-1993020066-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-14 | — | — | WO | disclosed |
| WO-1993018029-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |
| US-5208248-A | Hydroxytryptamine Receptor Agonists | MERCK SHARPE & DOHME, LTD. (GB) | 1993-05-04 | — | — | US | disclosed |
| US-5194440-A | Treatment for migraine; selective agonist | MERCK SHARP & DOHME LTD. (GB) | 1993-03-16 | — | — | US | disclosed |
| EP-0501568-A1 | Substituted cyclic sulphamide derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-09-02 | — | — | EP | disclosed |
| EP-0497512-A2 | Imidazole, triazole and tetrazole derivatives | MERCK SHARP & DOHME LTD. (GB) | 1992-08-05 | — | — | EP | disclosed |
| EP-0494774-A1 | Indazole-substituted fivemembered heteroaromatic compounds | MERCK SHARP & DOHME LTD. (GB) | 1992-07-15 | — | — | EP | disclosed |
| EP-0438230-A2 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME LTD. (GB) | 1991-07-24 | — | — | EP | disclosed |
| US-3987040-A | 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | disclosed |