Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.31 |
| ▸ | INSR | P06213 | 3/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NPM1 | P06748 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18698318 | 0.76 | QDPR (0.45) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24328529 | 0.73 | HTR1D (0.39) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1014752 | 0.73 | ALK (0.43) | HTR1DHTR1BCYP3A4ALKINSR | |
| SCHEMBL13548512 | 0.73 | HTR1D (0.40) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30640846 | 0.71 | ALK (0.43) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17304106 | 0.71 | ALK (0.43) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12635462 | 0.71 | QDPR (0.44) | HTR1DHTR1BQDPRHTR1FDRD2 | |
| SCHEMBL26042003 | 0.69 | VDR (0.36) | HTR1DHTR1BHTR1FALOX15DRD2 | |
| SCHEMBL12705383 | 0.68 | ALK (0.46) | CYP3A4DRD2ALKINSRKCNH2 | |
| SCHEMBL17303786 | 0.68 | ALK (0.40) | HTR1DHTR1BHTR1FALK |
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-2311807-A1 | Compounds and composition as protein kinase inhibitors | IRM LLC (BM) | 2011-04-20 | — | — | EP | disclosed |