Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL8895567 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C19HPGDALDH1A1 | |
| Phenylalanine SCHEMBL6040140 | 0.82 | SLC7A5 (0.78) | SLC7A5HPGDTSHRALDH1A1KDM4E | |
| Dl-Phenylalanine SCHEMBL6040139 | 0.82 | SLC7A5 (0.78) | SLC7A5HPGDTSHRALDH1A1KDM4E | |
| SCHEMBL7036213 | 0.81 | DPP4 (0.59) | SLC7A5CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL4675 | 0.80 | ALDH1A1 (0.62) | SLC7A5HPGDTSHRCYP4F2CYP4A11 | |
| SCHEMBL1870609 | 0.80 | ALDH1A1 (0.62) | SLC7A5HPGDTSHRCYP4F2CYP4A11 | |
| Benzene SCHEMBL28096336 | 0.80 | ALDH1A1 (0.62) | SLC7A5HPGDTSHRCYP4F2CYP4A11 | |
| SCHEMBL9311683 | 0.80 | KDM4E (0.45) | SLC7A5CYP1A2CYP2D6CYP2C19CYP4F2 | |
| Alanine SCHEMBL6040106 | 0.80 | SLC7A5 (0.61) | SLC7A5HPGDTSHRCYP4F2CYP4A11 | |
| Alanine SCHEMBL6040105 | 0.80 | SLC7A5 (0.61) | SLC7A5HPGDTSHRCYP4F2CYP4A11 |
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 |