Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | BRS3 | P32247 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12927440 | 0.92 | CETP (0.32) | CETPLMNAALOX15TSHRHTT | |
| SCHEMBL19302379 | 0.86 | CYP3A4 (0.40) | CETPLMNAALOX15TSHRHTT | |
| SCHEMBL1267318 | 0.79 | BRD4 (0.36) | PDE2A | |
| SCHEMBL641827 | 0.78 | ACACB (0.30) | — | |
| SCHEMBL858112 | 0.77 | LMNA (0.39) | LMNACYP3A4ROCK2CDK2CYP2C9 | |
| SCHEMBL1268055 | 0.74 | RPS6KB1 (0.42) | — | |
| SCHEMBL2112052 | 0.74 | CYP3A4 (0.32) | CYP3A4CYP2C9 | |
| SCHEMBL2114924 | 0.74 | NTRK1 (0.32) | CYP2C9 | |
| SCHEMBL3821880 | 0.74 | CYP2C9 (0.42) | SMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL1266658 | 0.73 | PDPK1 (0.36) | ROCK2ROCK1CDK2CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007013896-A2 | PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-02-01 | — | — | WO | disclosed |