Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SYK | P43405 | 5/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21514083 | 0.87 | CYP2C9 (0.49) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL1182300 | 0.87 | KCNH2 (0.52) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL1182645 | 0.81 | CYP2C19 (0.57) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL21872246 | 0.80 | CYP2C9 (0.48) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL4334006 | 0.78 | KCNH2 (0.50) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL21872457 | 0.78 | CYP2C9 (0.48) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL10147036 | 0.78 | KCNH2 (0.56) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL12835455 | 0.77 | AURKA (0.46) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL21872242 | 0.77 | PLK4 (0.42) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 | |
| SCHEMBL28426672 | 0.77 | CYP2C19 (0.51) | KCNH2SCN5ASCN9ACYP2C9CYP2C19 |
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-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | disclosed |