Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | MYLK | Q15746 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.45 |
| ▸ | THPO | P40225 | 3/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL24123622 | 0.82 | TAAR1 (0.40) | TAAR1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL11230873 | 0.79 | CYP1A2 (0.42) | TAAR1CYP1A2PNMTTSHRALDH1A1 | |
| SCHEMBL7534755 | 0.77 | MAPK14 (0.43) | TAAR1CYP3A4CYP1A2CYP2C19KDM4E | |
| SCHEMBL11321654 | 0.77 | CYP1A2 (0.40) | TAAR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11339054 | 0.77 | KDM4E (0.46) | TAAR1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11240997 | 0.77 | CYP1A2 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18950681 | 0.77 | CA12 (0.52) | TAAR1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19986641 | 0.76 | STK17A (0.37) | CYP1A2CYP2D6KDM4ECSNK1A1NPSR1 | |
| SCHEMBL16119348 | 0.76 | KDM4E (0.40) | TAAR1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL11730094 | 0.76 | CYP1A2 (0.39) | TAAR1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4356322-A | ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS | VEB ARZNEIMITTELWERK DRESDEN (DD) | 1982-10-26 | — | — | US | disclosed |
| US-4080503-A | HYPOTENSIVE AGENTS, ANTICOAGULANTS, ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DT) | 1978-03-21 | — | — | US | disclosed |