Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285266 | 0.84 | CYP2D6 (0.51) | CYP1A2CYP2D6CYP2C19TAAR1HTR2A | |
| SCHEMBL15490529 | 0.79 | CA12 (0.48) | CYP1A2CYP2D6HTR2AALDH1A1MAPT | |
| SCHEMBL11658602 | 0.79 | ADRA1A (0.56) | CYP1A2CYP2D6TAAR1HTR2AALDH1A1 | |
| SCHEMBL8784289 | 0.78 | LDHA (0.50) | CYP1A2CYP2D6CYP2C19SLC6A4 | |
| SCHEMBL789023 | 0.78 | CA12 (0.47) | CYP1A2CYP2D6TAAR1HTR2AALDH1A1 | |
| SCHEMBL790317 | 0.78 | CA12 (0.47) | CYP1A2CYP2D6TAAR1HTR2AALDH1A1 | |
| SCHEMBL414370 | 0.76 | MEN1 (0.48) | CYP1A2CYP2D6ALDH1A1MAPTMAPK1 | |
| SCHEMBL806607 | 0.76 | CA12 (0.46) | CYP1A2CYP2D6TAAR1HTR2AALDH1A1 | |
| SCHEMBL6761354 | 0.76 | HSD17B10 (0.49) | CYP2D6ALDH1A1MAPK1 | |
| SCHEMBL6761350 | 0.76 | HSD17B10 (0.49) | CYP2D6ALDH1A1MAPK1 |
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-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5776983-A | ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |