Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 6/20 | 0.51 |
| ▸ | USP2 | O75604 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1265347 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL1265350 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL3830667 | 0.82 | MAPT (0.42) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL3834871 | 0.80 | MAPT (0.39) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL25637792 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL27891369 | 0.75 | APLNR (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL4040609 | 0.75 | NPC1 (0.69) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL30615467 | 0.75 | NPC1 (0.69) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL13731823 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL9984983 | 0.72 | MAPT (0.44) | CYP1A2CYP3A4CYP2C19MAPTCYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099800-A1 | 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | Pharmacopeia, LLC (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008060301-A1 | 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA , LLC (US) | 2008-05-22 | — | — | WO | disclosed |
| EP-1874772-A1 | PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA, INC. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006108103-A1 | PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA, INC. (US) | 2006-10-12 | — | — | WO | disclosed |