Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FES | P07332 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6463781 | 0.92 | SMN1; SMN2 (0.39) | MAPTALDH1A1SMN1; SMN2LMNAMAPK1 | |
| SCHEMBL6463844 | 0.83 | SLC6A9 (0.38) | LMNATBXA2RKMT2APOLBTSHR | |
| SCHEMBL7042125 | 0.78 | L3MBTL1 (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL6467254 | 0.75 | MAPT (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL6465152 | 0.73 | MAPT (0.39) | CYP3A4CYP2C9CYP2C19MAPTHTT | |
| SCHEMBL7042863 | 0.70 | KCNA5 (0.37) | CYP3A4MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL4067164 | 0.66 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL2843163 | 0.65 | PTAFR (0.67) | ALDH1A1PTAFRTBXAS1FESRET | |
| SCHEMBL28851928 | 0.64 | MAPT (0.83) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL2841099 | 0.63 | EPHX2 (0.65) | ALDH1A1PTAFRTBXAS1FESRET |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |