Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13552198 | 0.82 | CNR1 (0.41) | ARCNR1CNR2HPGDCYP1A2 | |
| SCHEMBL6873569 | 0.81 | KDM4E (0.33) | ARALDH1A1KDM4ETSHR | |
| SCHEMBL6875574 | 0.79 | CNR1 (0.35) | CNR1CNR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6875629 | 0.76 | HRH1 (0.41) | CYP1A2CYP3A4CYP2C9ALDH1A1TSHR | |
| SCHEMBL6874159 | 0.74 | PPARD (0.38) | CNR1 | |
| SCHEMBL6873571 | 0.74 | CYP19A1 (0.37) | CNR1CNR2 | |
| SCHEMBL12634601 | 0.73 | AR (0.38) | ARCYP2C9ALDH1A1HTR1AMAPK1 | |
| SCHEMBL13894378 | 0.70 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C9ALDH1A1TSHR | |
| SCHEMBL13552213 | 0.70 | KDM4E (0.44) | HPGDCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4315639 | 0.70 | ALDH1A1 (0.54) | ARHPGDALDH1A1HTR1AMAPK1 |
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-2011050276-A1 | METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES | TRANZYME PHARMA, INC. (US) | 2011-04-28 | — | — | WO | disclosed |