Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CPS1 | P31327 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GPR6 | P46095 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4755205 | 0.99 | KMT2A (0.53) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL3759104 | 0.79 | KMT2A (0.55) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL1221923 | 0.78 | KMT2A (0.54) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1221532 | 0.77 | KMT2A (0.53) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL1515866 | 0.76 | KMT2A (0.55) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL1516226 | 0.75 | KMT2A (0.53) | KMT2AMAPK1CPS1ALDH1A1MAPT | |
| SCHEMBL13983665 | 0.74 | KMT2A (0.53) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL12894668 | 0.73 | KMT2A (0.52) | KMT2AMAPK1CPS1CYP1A2CYP3A4 | |
| SCHEMBL31350942 | 0.70 | SMN1; SMN2 (0.57) | KMT2AMAPK1CYP3A4ALDH1A1MAPT | |
| SCHEMBL1515934 | 0.70 | PKM (0.59) | KMT2AMAPK1PKMALDH1A1HTT |
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-2008157844-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-12-24 | — | — | WO | disclosed |