Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL2818335 | 0.81 | LTA4H (0.50) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL16782647 | 0.81 | LTA4H (0.50) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL2818333 | 0.81 | LTA4H (0.50) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL4635903 | 0.80 | TSHR (0.36) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL20856386 | 0.76 | TSHR (0.36) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL20856387 | 0.76 | TSHR (0.36) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL20869702 | 0.76 | TSHR (0.36) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL29940586 | 0.74 | LTA4H (0.43) | TSHRLTA4HALDH1A1CA4KCNA3 | |
| SCHEMBL28616418 | 0.72 | LTA4H (0.41) | TSHRLTA4HALDH1A1CA4MAOB | |
| SCHEMBL2723536 | 0.71 | MAOB (0.44) | ALDH1A1MAOB |
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 |