Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.47 |
| ▸ | PIK3C2B | O00750 | 4/20 | 0.47 |
| ▸ | MTOR | P42345 | 3/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | NNMT | P40261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2130484 | 0.87 | PKM (0.53) | PIK3CDPIK3C2BMTORPIK3CGGAA | |
| SCHEMBL30572211 | 0.82 | NNMT (0.45) | PIK3CDPIK3C2BMTORPIK3CGGAA | |
| SCHEMBL30572289 | 0.82 | IKBKB (0.45) | ALDH1A1KDM4EIKBKBNNMTHTT | |
| SCHEMBL10169396 | 0.82 | BTK (0.49) | PIK3CDPIK3C2BMTORPIK3CGGAA | |
| SCHEMBL30590396 | 0.77 | PRKDC (0.50) | GAAALDH1A1KDM4ECRHBPCRHR2 | |
| SCHEMBL1912050 | 0.76 | CRHBP (0.53) | PIK3CDPIK3C2BMTORPIK3CGGAA | |
| SCHEMBL2134143 | 0.76 | NNMT (0.40) | NNMTHPGDBTK | |
| SCHEMBL17531163 | 0.76 | ALDH1A1 (0.50) | GAAALDH1A1KDM4EHTTCRHBP | |
| SCHEMBL3095284 | 0.75 | IKBKB (0.56) | GAAALDH1A1KDM4EIKBKBHTT | |
| SCHEMBL2254866 | 0.75 | GAA (0.43) | GAAALDH1A1KDM4EHTTCRHBP |
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 |
|---|---|---|---|---|---|---|---|
| US-6407111-B1 | SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |