Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7425836 | 1.00 | FDPS (0.41) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL27435543 | 0.79 | CNR2 (0.37) | KDM4ECYP3A4CHRNA7 | |
| SCHEMBL7433476 | 0.77 | FDPS (0.44) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL7433470 | 0.77 | FDPS (0.44) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL17053181 | 0.77 | FDPS (0.44) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL20122653 | 0.75 | CHRNA7 (0.31) | CHRNA7 | |
| SCHEMBL7422681 | 0.74 | ENPP2 (0.41) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL7434021 | 0.74 | ENPP2 (0.41) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL7422694 | 0.74 | ENPP2 (0.41) | FDPSKDM4EENPP2CYP1A2CYP3A4 | |
| SCHEMBL7428148 | 0.73 | FDPS (0.44) | FDPSKDM4EENPP2CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |