Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 5/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6502269 | 0.87 | NPSR1 (0.44) | ALDH1A1LMNANPSR1CYP1A2CYP3A4 | |
| SCHEMBL7917480 | 0.86 | LMNA (0.38) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL18600965 | 0.84 | APP (0.50) | ALDH1A1PTGS2AGBL2APP | |
| SCHEMBL19055601 | 0.83 | AGBL2 (0.44) | ALDH1A1LMNANPSR1CYP1A2CYP3A4 | |
| SCHEMBL7917315 | 0.81 | PTGS2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C19PTGS2 | |
| SCHEMBL13197550 | 0.81 | CYP1A2 (0.52) | ALDH1A1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL22278620 | 0.80 | APP (0.33) | NPSR1CYP1A2CYP3A4CYP2C19PTGS2 | |
| SCHEMBL7916612 | 0.80 | CYP1A2 (0.43) | LMNACYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL29837917 | 0.80 | CYP1A2 (0.43) | LMNACYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL19055602 | 0.78 | NPSR1 (0.38) | ALDH1A1LMNANPSR1CYP1A2CYP3A4 |
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-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 |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |