Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8302401 | 0.85 | GPR88 (0.40) | TACR3CYP3A4TSHRALDH1A1CYP1A2 | |
| SCHEMBL8303024 | 0.80 | LTB4R (0.48) | TSHRALDH1A1CYP1A2CYP2C9MAPK1 | |
| SCHEMBL8303022 | 0.78 | ALDH1A1 (0.46) | CYP3A4ALDH1A1CA1CA2TDP1 | |
| SCHEMBL10332571 | 0.76 | LMNA (0.53) | TACR3CYP3A4ALDH1A1ROCK2ROCK1 | |
| SCHEMBL22502277 | 0.76 | LMNA (0.49) | TACR3CYP3A4ROCK2ROCK1CNR1 | |
| SCHEMBL4732145 | 0.76 | LMNA (0.49) | TACR3CYP3A4ROCK2ROCK1CNR1 | |
| SCHEMBL8303023 | 0.75 | CNR2 (0.49) | ALDH1A1CNR1HPGDMAPTEPHX1 | |
| SCHEMBL8302370 | 0.75 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1CYP1A2CNR1 | |
| SCHEMBL12880512 | 0.73 | LMNA (0.46) | TACR3CYP3A4ROCK2ROCK1CNR1 | |
| SCHEMBL13707805 | 0.73 | TACR3 (0.46) | TACR3CYP3A4ROCK2ROCK1CNR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |