Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18868470 | 1.00 | CYP2D6 (0.36) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL25955125 | 0.80 | APLNR (0.50) | CYP2D6KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30581671 | 0.79 | CYP2D6 (0.42) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL29585508 | 0.79 | KMT2A (0.38) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL5087932 | 0.77 | GAA (0.37) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL25699572 | 0.75 | CHRNB2 (0.46) | CYP2D6KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25040325 | 0.75 | KDM4E (0.42) | CYP2D6KDM4EMAPTKMT2AATM | |
| Hydrochloric Acid SCHEMBL30278422 | 0.74 | KDM4E (0.41) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL31614196 | 0.71 | KDM4E (0.38) | CYP2D6KDM4EMAPTKMT2AATM | |
| SCHEMBL31614214 | 0.71 | KDM4E (0.38) | CYP2D6KDM4EMAPTKMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2389373-B1 | DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES | RIGEL PHARMACEUTICALS INC (US) | 2017-05-17 | — | — | EP | disclosed |