Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5830944 | 0.81 | CYP2C19 (0.56) | CYP2C19CYP3A4CYP1A2CYP2A6MEN1 | |
| SCHEMBL5252496 | 0.74 | CYP2C19 (0.50) | CYP2C19CYP3A4CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL652140 | 0.73 | TDP1 (0.47) | CYP2C19CYP1A2CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL23527419 | 0.71 | CYP2C19 (0.55) | CYP2C19CYP3A4CYP1A2CYP2A6MEN1 | |
| SCHEMBL18242791 | 0.71 | CYP2C19 (0.47) | CYP2C19CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL5551802 | 0.71 | MC5R (0.58) | CYP2C19CYP3A4CYP1A2CYP2A6MEN1 | |
| SCHEMBL10389881 | 0.70 | TDP1 (0.53) | CYP2C19CYP1A2MEN1KMT2ACYP2C9 | |
| SCHEMBL10390339 | 0.70 | CYP2C19 (0.55) | CYP2C19CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL66917 | 0.70 | CYP2C19 (0.53) | CYP2C19CYP3A4CYP1A2CYP2A6MEN1 | |
| SCHEMBL15249122 | 0.70 | NPC1 (0.48) | CYP2C19CYP3A4CYP1A2CYP2A6MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011100769-A2 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | SYNOVO GMBH (DE) | 2011-08-18 | — | — | WO | claimed |
| WO-2011100769-A2 | KINASE MODULATORS FOR THE TREATMENT OF CANCER | SYNOVO GMBH (DE) | 2011-08-18 | — | — | WO | disclosed |