Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
| ▸ | GRM6 | O15303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ARG1 | P05089 | 4/20 | 0.30 |
| ▸ | ARG2 | P78540 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8404679 | 0.89 | CYP2C19 (0.37) | CYP2C19GRM2GRM3GRM4CYP1A2 | |
| SCHEMBL7401320 | 0.89 | CYP2C19 (0.37) | CYP2C19GRM2GRM3GRM4CYP1A2 | |
| SCHEMBL5183503 | 0.83 | EPHX1 (0.32) | CYP2C19 | |
| SCHEMBL9034015 | 0.78 | CYP1A2 (0.34) | CYP2C19GRM2GRM3CYP1A2 | |
| SCHEMBL3704761 | 0.76 | CYP2C19 (0.35) | CYP2C19GRM4 | |
| SCHEMBL29112555 | 0.75 | GRM4 (0.35) | CYP2C19GRM2GRM3GRM4CYP1A2 | |
| SCHEMBL14662847 | 0.75 | CYP2C19 (0.34) | CYP2C19GRM2GRM3GRM4CYP1A2 | |
| SCHEMBL4206402 | 0.73 | BTK (0.32) | — | |
| SCHEMBL14857889 | 0.73 | BTK (0.32) | — | |
| SCHEMBL12987712 | 0.73 | BTK (0.32) | — |
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-101213179-A | 2, 4-diamino-pyrimidines as Aurora inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2008-07-02 | — | — | CN | disclosed |