Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27496539 | 0.86 | SLC6A4 (0.41) | CYP1A2PDK1PDK2PDK3PDK4 | |
| SCHEMBL17351215 | 0.80 | MAPT (0.36) | CYP1A2MAPTL3MBTL1LMNACYP2C9 | |
| SCHEMBL20749950 | 0.75 | MAPK1 (0.50) | CYP1A2ALDH1A1MAPTL3MBTL1CYP2C9 | |
| SCHEMBL3543982 | 0.74 | ALDH1A1 (0.43) | CYP1A2PDK1PDK2PDK3PDK4 | |
| SCHEMBL6555370 | 0.73 | LMNA (0.44) | ALDH1A1MAPTALOX12LMNA | |
| SCHEMBL31283238 | 0.73 | KCNK2 (0.46) | CYP1A2ALDH1A1MAPTL3MBTL1LMNA | |
| SCHEMBL24251938 | 0.72 | MEN1 (0.47) | CYP1A2MAPTHPGDL3MBTL1LMNA | |
| SCHEMBL3441761 | 0.72 | ALDH1A1 (0.42) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL3529995 | 0.72 | MAPK1 (0.39) | ALDH1A1KDM4EMAPTL3MBTL1LMNA | |
| SCHEMBL29977168 | 0.72 | PDK1 (0.46) | CYP1A2PDK1PDK2PDK3PDK4 |
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-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 |
| 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 |