Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5913037 | 0.81 | CYP3A4 (0.66) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL7101790 | 0.81 | CYP3A4 (0.66) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL261986 | 0.81 | CYP3A4 (0.66) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL309762 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL8041928 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL2918640 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL57683 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL9068476 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL2224096 | 0.79 | RECQL (0.72) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 | |
| SCHEMBL1274022 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C1RECQLAKR1C3 |
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-6890924-B2 | Substituted bicyclic derivatives for the treatment of abnormal cell growth | PFIZER INC (US) | 2005-05-10 | — | — | US | disclosed |
| US-4704006-A | HIGH REFRACTIVE INDEX, DYEABILITY, SOLVENT RESISTANCE | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-11-03 | — | — | US | disclosed |