Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | CTSD | P07339 | 3/20 | 0.53 |
| ▸ | QPCT | Q16769 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.53 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.53 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.53 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4A | O75164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7040630 | 0.88 | F2 (0.54) | RAB9ACTSDQPCTALDH1A1MAPT | |
| SCHEMBL7040046 | 0.81 | LMNA (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL6376353 | 0.80 | POLB (0.68) | POLBALDH1A1PLAAT3PLAAT5PLAAT2 | |
| SCHEMBL7038489 | 0.77 | ACHE (0.59) | POLBALDH1A1 | |
| SCHEMBL28196332 | 0.76 | ACHE (0.49) | NPC1RAB9APOLBALDH1A1 | |
| SCHEMBL20418416 | 0.76 | ALDH1A1 (0.61) | CTSDALDH1A1PLAAT3PLAAT5PLAAT2 | |
| SCHEMBL742343 | 0.76 | KMT2A (0.71) | ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL11001026 | 0.76 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL28107955 | 0.75 | EPHX1 (0.62) | QPCTALDH1A1 | |
| SCHEMBL8098635 | 0.75 | ALDH1A1 (0.62) | CTSDALDH1A1PLAAT3PLAAT5PLAAT2 |
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 |