Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1937515 | 0.80 | MAPT (0.51) | MAPTCES2CES1ALDH1A1MAPK1 | |
| SCHEMBL14473616 | 0.73 | CA1 (0.58) | MAPTALDH1A1MAPK1ALOX15LMNA | |
| SCHEMBL10642557 | 0.73 | CA1 (0.58) | MAPTALDH1A1MAPK1ALOX15LMNA | |
| SCHEMBL1975657 | 0.73 | CA1 (0.58) | MAPTALDH1A1MAPK1ALOX15LMNA | |
| SCHEMBL7705952 | 0.73 | CES1 (0.56) | MAPTCES2CES1ALDH1A1CA1 | |
| SCHEMBL9590123 | 0.72 | PPARA (0.52) | MAPTCES2CES1ALDH1A1MAPK1 | |
| SCHEMBL1669219 | 0.72 | CA1 (0.71) | MAPTCES2CES1ALDH1A1MAPK1 | |
| SCHEMBL677932 | 0.72 | CA1 (0.55) | MAPTALDH1A1MAPK1ALOX15LMNA | |
| SCHEMBL9319281 | 0.72 | CA1 (0.55) | MAPTALDH1A1MAPK1ALOX15LMNA | |
| SCHEMBL1321231 | 0.72 | CYP1A2 (0.70) | MAPTCES1ALDH1A1ALOX15KMT2A |
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 |