Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GRN | P28799 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3R2 | O00459 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | PIK3R5 | Q8WYR1 | 2/20 | 0.36 |
| ▸ | PIK3R3 | Q92569 | 2/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL9253875 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL9170538 | 0.77 | CYP1A2 (0.44) | CYP1A2HIF1AMAPK1ALDH1A1CYP2C9 | |
| SCHEMBL7946700 | 0.72 | HDAC3 (0.47) | HIF1AMAPK1ALDH1A1CYP2C19LMNA | |
| SCHEMBL9174496 | 0.72 | PIK3CD (0.48) | CYP1A2CYP2C9CYP2C19CYP3A4PIK3CD | |
| SCHEMBL9522810 | 0.65 | TP53 (0.39) | MAPK1ALDH1A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9175563 | 0.64 | PIK3CD (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4PIK3CD | |
| SCHEMBL5307163 | 0.63 | KMT2A (0.50) | CYP1A2HIF1AMAPK1ALDH1A1CYP2C9 | |
| SCHEMBL2915869 | 0.62 | CYP2C9 (0.63) | CYP1A2MAPK1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9172754 | 0.61 | PTGER1 (0.47) | CYP1A2HIF1AMAPK1CYP2C9CYP2C19 | |
| SCHEMBL7917134 | 0.61 | CCNA2 (0.51) | CYP1A2HIF1AMAPK1ALDH1A1CYP2C9 |
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-0347773-B1 | CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1993-04-28 | — | — | EP | disclosed |