Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3410904 | 1.00 | GRM1 (0.39) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL3414988 | 0.82 | KDM4E (0.45) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL3414989 | 0.82 | KDM4E (0.45) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL9274891 | 0.74 | CYP1A2 (0.33) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4334851 | 0.73 | NT5E (0.45) | KDM4EPGRNT5EALDH1A1MEN1 | |
| SCHEMBL7114128 | 0.67 | PGR (0.37) | CYP1A2CYP2C9CYP2C19BLMKDM4E | |
| SCHEMBL11742765 | 0.66 | MAOB (0.40) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL11742756 | 0.66 | MAOB (0.40) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL27176762 | 0.64 | GRM1 (0.44) | GRM1CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL7534480 | 0.63 | MEN1 (0.43) | KDM4ECYP3A4NT5EALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2262789-A1 | 2-AMINOQUINOLINES | F. Hoffmann-La Roche AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009109477-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |