Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238154 | 0.82 | MAPK1 (0.38) | MAPK1MAPTALDH1A1BRD4 | |
| SCHEMBL3245750 | 0.80 | MAPK1 (0.36) | MAPK1ALDH1A1BRD4 | |
| SCHEMBL3237155 | 0.80 | MAPK1 (0.39) | MAPK1PPARAPPARGPPARDCYP26A1 | |
| SCHEMBL12336846 | 0.79 | MEN1 (0.47) | MAPK1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10666615 | 0.78 | MAPT (0.55) | MAPK1MAPTCYP3A4CYP19A1 | |
| SCHEMBL1922846 | 0.74 | CYP3A4 (0.47) | MAPK1MAPTLMNACYP3A4CYP2C19 | |
| SCHEMBL3233897 | 0.73 | MAPK1 (0.38) | MAPK1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3233085 | 0.73 | MAPK1 (0.49) | MAPK1MAPT | |
| SCHEMBL2160987 | 0.71 | MEN1 (0.47) | MAPK1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3237508 | 0.71 | MAPK1 (0.36) | MAPK1LMNACYP3A4CYP2C9CYP2C19 |
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-2010029065-A1 | IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS | BASF SE (DE) | 2010-03-18 | — | — | WO | disclosed |