Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.63 |
| ▸ | PNMT | P11086 | 2/20 | 0.58 |
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DBH | P09172 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690855 | 0.82 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL18239035 | 0.81 | PNMT (0.62) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL7432386 | 0.81 | TAAR1 (0.60) | TAAR1PNMTIDO1ALDH1A1TSHR | |
| SCHEMBL30989519 | 0.78 | TAAR1 (0.39) | TAAR1PNMTIDO1ALDH1A1CYP1A2 | |
| SCHEMBL5584502 | 0.77 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL16404689 | 0.77 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL2963562 | 0.77 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL1570973 | 0.77 | TAAR1 (1.00) | TAAR1PNMTIDO1CYP1A2GLA | |
| SCHEMBL8082929 | 0.77 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E | |
| SCHEMBL3001711 | 0.77 | TAAR1 (0.63) | TAAR1PNMTIDO1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0256888-B1 | BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION | McNeilab, Inc. (US) | 1991-07-03 | — | — | EP | disclosed |
| US-4729994-A | Benzothiazepine vasodilators having aralkyl substitution | MCNEILAB, INC. (US) | 1988-03-08 | — | — | US | disclosed |
| EP-0256888-A1 | Benzothiazepine vasodilators having aralkyl substitution | McNeilab, Inc. (US) | 1988-02-24 | — | — | EP | disclosed |