Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923107 | 0.83 | TACR1 (0.36) | TACR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL8176205 | 0.76 | TACR1 (0.48) | TACR1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL7919134 | 0.73 | ALDH1A1 (0.33) | KDM4EALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL7916641 | 0.72 | CHRNB2 (0.45) | TACR1 | |
| SCHEMBL6920657 | 0.71 | ALDH1A1 (0.41) | TACR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL4205517 | 0.71 | KCNN4 (0.56) | TACR1ALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL13629596 | 0.71 | TACR1 (0.46) | TACR1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL8530555 | 0.70 | TACR1 (0.46) | TACR1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL13801192 | 0.70 | P2RX7 (0.40) | ALDH1A1HPGDMAPT | |
| SCHEMBL6906887 | 0.69 | TACR1 (0.35) | TACR1KDM4EALDH1A1HPGDCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0989987-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-05 | — | — | EP | disclosed |
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |