Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 1.00 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL243368 | 1.00 | AOC3 (1.00) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| Hydrochloric Acid SCHEMBL11531581 | 0.98 | AOC3 (0.96) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| SCHEMBL18459579 | 0.82 | AOC3 (0.69) | AOC3TAAR1GRIA4 | |
| SCHEMBL11046082 | 0.81 | TAAR1 (0.68) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| SCHEMBL8720305 | 0.80 | AOC3 (0.67) | AOC3TAAR1GRIA4 | |
| SCHEMBL23783575 | 0.79 | TAAR1 (0.95) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| Phenpromethamine SCHEMBL3958676 | 0.79 | TAAR1 (0.95) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| Phenpromethamine SCHEMBL4917327 | 0.79 | TAAR1 (0.95) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| Phenpromethamine SCHEMBL681384 | 0.79 | TAAR1 (0.95) | AOC3TAAR1TRPA1RIPK1NPC1 | |
| SCHEMBL11106041 | 0.78 | AOC3 (0.64) | AOC3TAAR1TRPA1RIPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2592071-B1 | Tricyclic heterocyclic compounds | BRISTOL MYERS SQUIBB CO (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2012028962-A2 | PHARMACOPHORE TOXICITY SCREENING | BIOQUANTA SA (FR) | 2012-03-08 | — | — | WO | disclosed |
| US-4919916-A | Treatment of neurotransmitter-linked drug abuse | GOLWYN DANIEL H (US) | 1990-04-24 | — | — | US | disclosed |
| US-4786653-A | Treatment of neurotransmitter-linked drug abuse | GOLWYN DANIEL H (US) | 1988-11-22 | — | — | US | disclosed |