Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | GOT1 | P17174 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13996078 | 0.84 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2E1TDO2MAPT | |
| SCHEMBL2404513 | 0.79 | KDM4E (0.52) | CYP2A6CYP2B6CYP2E1TDO2NQO2 | |
| SCHEMBL8552712 | 0.79 | ENPP1 (0.38) | CYP2A6CYP2B6CYP2E1TDO2NQO2 | |
| SCHEMBL29537275 | 0.77 | MAPT (0.49) | GOT1MAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL580414 | 0.77 | MAPT (0.49) | GOT1MAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL31359722 | 0.74 | KMT2A (0.57) | GOT1MAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL1396090 | 0.74 | KMT2A (0.57) | GOT1MAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL29365992 | 0.72 | GOT1 (0.62) | CYP2A6GOT1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL345211 | 0.72 | GOT1 (0.62) | CYP2A6GOT1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL1268020 | 0.71 | ESR1 (0.49) | GOT1MAPTALDH1A1SMN1; SMN2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5462941-A | 1-(cyclohexylalkylamino)-4-(phenyl, thienyl, or furyl) phthalazines; anti-platelet agglutination agents for treatment or prevention of cerebro- or cardiovascular disorders | MITSUBISHI CHEMICAL CORPORATION (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0534443-A1 | 3,6-Disubstituted pyridazine derivatives | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | disclosed |