Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 | P31391 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9073781 | 0.72 | LTA4H (0.39) | DRD2TSHRLTA4HCA4 | |
| SCHEMBL10942041 | 0.70 | SLC6A4 (0.38) | TSHRLTA4H | |
| SCHEMBL9446141 | 0.68 | LTA4H (0.36) | DRD2TSHRLTA4HCA4 | |
| SCHEMBL20270422 | 0.66 | LTA4H (0.43) | DRD2TSHRLTA4HALDH1A1CA4 | |
| SCHEMBL9569843 | 0.64 | GAA (0.36) | DRD2TSHRLTA4HALDH1A1CA4 | |
| SCHEMBL168125 | 0.63 | KIF11 (0.47) | TSHRLTA4H | |
| SCHEMBL27862141 | 0.63 | KIF11 (0.47) | TSHRLTA4H | |
| SCHEMBL27677030 | 0.63 | LTA4H (0.39) | TSHRLTA4HCA4 | |
| Ammonia Solution, Strong SCHEMBL2163079 | 0.61 | KIF11 (0.46) | TSHRLTA4H | |
| SCHEMBL4036809 | 0.61 | KIF11 (0.46) | TSHRLTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372754-B1 | DRUGS FOR TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS OR POSTHERPIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-04-16 | — | — | US | disclosed |
| EP-1161419-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000047562-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |