Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | TET3 | O43151 | 1/20 | 0.30 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.30 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.30 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.30 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24775286 | 0.80 | CNR1 (0.32) | MAOAMAOBCYP2A6 | |
| SCHEMBL568885 | 0.78 | MEN1 (0.41) | KMT2AMEN1CYP2C9MAOAMAOB | |
| Hydrochloric Acid SCHEMBL28581691 | 0.76 | MEN1 (0.40) | KMT2AMEN1CYP2C9MAOAMAOB | |
| SCHEMBL1553 | 0.74 | AKR1C1 (0.42) | KMT2AMEN1CYP2C9AKR1C1OPRM1 | |
| SCHEMBL1152247 | 0.74 | AKR1C1 (0.47) | AKR1C1 | |
| SCHEMBL13922316 | 0.74 | HDAC4 (0.42) | KMT2AMEN1CYP2C9MAOAMAOB | |
| SCHEMBL9215817 | 0.72 | GRIN1 (0.36) | KMT2AMEN1CYP2C9AKR1C1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28579273 | 0.72 | AKR1C1 (0.45) | AKR1C1OPRM1 | |
| SCHEMBL1299548 | 0.72 | AKR1C1 (0.45) | KMT2AMEN1AKR1C1OPRM1 | |
| Hydrochloric Acid SCHEMBL28589025 | 0.72 | AKR1C1 (0.41) | KMT2AMEN1CYP2C9AKR1C1OPRM1 |
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-1483228-B1 | NK1 ANTAGONISTS | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |