Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CSF1R | P07333 | 3/20 | 0.64 |
| ▸ | KIT | P10721 | 2/20 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.64 |
| ▸ | FLT1 | P17948 | 1/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL27708327 | 0.90 | CYP3A4 (0.58) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL27708348 | 0.90 | CSF1R (0.68) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL1267958 | 0.89 | CYP3A4 (0.83) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL1266602 | 0.88 | CYP2C9 (0.64) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL27728727 | 0.86 | CSF1R (0.60) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL1883339 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL27708336 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL19302386 | 0.81 | CYP3A4 (0.78) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL12251798 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C19CYP2D6CSF1RKIT | |
| SCHEMBL1266581 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C19CYP2D6CSF1RKIT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101223169-A | Pyrrolo [2, 3-b ] pyridine derivative protein kinase inhibitors | PLEXXIKON INC (US) | 2008-07-16 | — | — | CN | disclosed |