Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.55 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8696694 | 1.00 | TACR1 (0.55) | TACR1P2RX7HTR2CSLC6A4HTR2B | |
| SCHEMBL9085413 | 0.88 | TACR1 (0.57) | TACR1P2RX7HTR2BMAOAMAOB | |
| SCHEMBL9085408 | 0.88 | TACR1 (0.57) | TACR1P2RX7HTR2BMAOAMAOB | |
| SCHEMBL9035598 | 0.84 | TACR1 (0.70) | TACR1 | |
| SCHEMBL9035590 | 0.84 | TACR1 (0.70) | TACR1 | |
| SCHEMBL9035730 | 0.83 | TACR1 (0.54) | TACR1SLC6A4HTR2B | |
| SCHEMBL9036821 | 0.82 | TACR1 (0.46) | TACR1 | |
| SCHEMBL9033851 | 0.81 | TACR1 (0.64) | TACR1 | |
| SCHEMBL9034870 | 0.81 | TACR1 (0.58) | TACR1 | |
| SCHEMBL9034788 | 0.81 | TACR1 (0.45) | TACR1HTR2CSLC6A4HTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5780467-A | USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1998-07-14 | — | — | US | disclosed |