Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.60 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CASR | P41180 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | CNR2 | P34972 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.52 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19465685 | 1.00 | PLA2G1B (0.60) | PLA2G1BATG4BNPC1KMT2ATSHR | |
| SCHEMBL6258166 | 0.94 | CASR (0.61) | PLA2G1BATG4BNPC1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL27489902 | 0.93 | CASR (0.60) | PLA2G1BATG4BNPC1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL11481383 | 0.86 | ALDH1A1 (0.52) | PLA2G1BATG4BNPC1KMT2ACASR | |
| SCHEMBL6258168 | 0.85 | ALDH1A1 (0.58) | KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL4220537 | 0.85 | KMT2A (0.55) | KMT2ATSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18134806 | 0.84 | PLA2G1B (0.61) | PLA2G1BATG4BNPC1KMT2ATSHR | |
| SCHEMBL19465496 | 0.84 | KMT2A (0.64) | NPC1KMT2ATSHRRAB9ACNR2 | |
| Hydrochloric Acid SCHEMBL4205709 | 0.84 | KMT2A (0.54) | KMT2ATSHRCYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4205714 | 0.84 | KMT2A (0.54) | KMT2ATSHRCYP1A2CYP2D6CYP2C9 |
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 |