Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4111269 | 0.90 | MKNK1 (0.51) | ALDH1A1MKNK1KDM4ELMNAKMT2A | |
| SCHEMBL6016307 | 0.87 | ALDH1A1 (0.43) | ALDH1A1MKNK1GAALMNAATM | |
| SCHEMBL6016314 | 0.87 | MKNK1 (0.48) | ALDH1A1MKNK1HPGDKDM4ELMNA | |
| SCHEMBL4114433 | 0.79 | MKNK1 (0.52) | ALDH1A1MKNK1KDM4ELMNAKMT2A | |
| SCHEMBL6016414 | 0.77 | PRKAB2 (0.47) | ALDH1A1MKNK1KDM4ETSHRTP53 | |
| SCHEMBL6016539 | 0.77 | KDM4E (0.53) | ALDH1A1MKNK1KDM4EKMT2AL3MBTL1 | |
| SCHEMBL6016530 | 0.76 | MAPK14 (0.47) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6862515 | 0.75 | CNR1 (0.52) | ALDH1A1MKNK1GAAKDM4ELMNA | |
| SCHEMBL6016306 | 0.75 | PRKAB2 (0.46) | ALDH1A1MKNK1KDM4ETSHRTP53 | |
| SCHEMBL8267775 | 0.74 | PKM (0.52) | ALDH1A1GAASMN1; SMN2KDM4EKMT2A |
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-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |