Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7587844 | 0.82 | CASR (0.38) | TSHRCYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL5008800 | 0.81 | TSHR (0.40) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL28381882 | 0.80 | KCNN4 (0.53) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL5013862 | 0.80 | TSHR (0.42) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL3003485 | 0.80 | CYP3A4 (0.42) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL1321899 | 0.79 | ALDH1A1 (0.44) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL3681420 | 0.79 | ALDH1A1 (0.44) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| SCHEMBL30344974 | 0.79 | ALDH1A1 (0.44) | KIF11TSHRCYP2C19CYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL16653113 | 0.78 | ALDH1A1 (0.43) | KIF11TSHRCYP3A4HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL12614790 | 0.78 | ALDH1A1 (0.43) | KIF11TSHRCYP3A4HSD17B10HPGD |
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-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 |
| CN-1109050-A | Catecholamine surrogates useful as beta3 agonists | BRISTOL MYERS SQUIBB CO (US) | 1995-09-27 | — | — | CN | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |