Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL29535627 | 0.86 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL6557195 | 0.86 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL8903304 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL14716053 | 0.85 | L3MBTL1 (0.58) | L3MBTL1CA12CA1CA2CA9 | |
| SCHEMBL31146306 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL6602968 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL4117988 | 0.80 | IDO1 (0.48) | IDO1SMN1; SMN2GAAMAPT | |
| SCHEMBL8530877 | 0.79 | AR (0.58) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL8361373 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 | |
| SCHEMBL6540259 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19L3MBTL1CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1186328-C | Substd. 5-benzyl-2,4-diaminopyrimidines | BASLIDE PHARMA AG (CH) | 2005-01-26 | — | — | CN | disclosed |
| EP-1230224-B1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2004-12-29 | — | — | EP | disclosed |
| US-6821980-B1 | Substituted 5-benzyl-2,4-diaminopyrimidines | BASILEA PHARMACEUTICA AG (CH) | 2004-11-23 | — | — | US | disclosed |
| CN-1387516-A | Substd. 5-benzyl-2,4-diaminopyrimidines | BASLIDE PHARMA AG (CH) | 2002-12-25 | — | — | CN | disclosed |
| EP-1230224-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032633-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2001-05-10 | — | — | WO | disclosed |