Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.50 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | AGXT | P21549 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30849685 | 0.85 | TAAR1 (0.53) | TAAR1AOC3ABCB1HTR1ADRD2 | |
| SCHEMBL7710830 | 0.85 | TAAR1 (0.53) | TAAR1AOC3ABCB1HTR1ADRD2 | |
| SCHEMBL6444198 | 0.84 | TAAR1 (0.68) | TAAR1AOC3SIGMAR1TACR1CASR | |
| SCHEMBL11420812 | 0.84 | TACR1 (0.56) | TAAR1SIGMAR1TACR1CASRCHRM3 | |
| Hydrochloric Acid SCHEMBL10671127 | 0.83 | TAAR1 (0.66) | TAAR1SIGMAR1TACR1CASRIDO1 | |
| Hydrochloric Acid SCHEMBL11418373 | 0.83 | TACR1 (0.55) | TAAR1SIGMAR1TACR1CASRCHRM3 | |
| SCHEMBL1162783 | 0.83 | CYP1A2 (0.57) | TAAR1TACR1 | |
| SCHEMBL267087 | 0.81 | TAAR1 (0.72) | TAAR1AOC3ABCB1HTR1ADRD2 | |
| SCHEMBL11420814 | 0.80 | MAOB (0.53) | TAAR1TACR1CASR | |
| SCHEMBL21002046 | 0.80 | AOC3 (0.57) | TAAR1AOC3SIGMAR1CASRCHRM2 |
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-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |