Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL351861 | 0.73 | IDO1 (0.43) | ALDH1A1HPGD | |
| SCHEMBL6003248 | 0.70 | IDO1 (0.40) | ALDH1A1HPGD | |
| SCHEMBL7434026 | 0.65 | CYP3A4 (0.46) | BCHERAB9A | |
| SCHEMBL3930999 | 0.64 | RBP4 (0.43) | USP2ALDH1A1HPGD | |
| SCHEMBL22495345 | 0.63 | SIGMAR1 (0.63) | SIGMAR1 | |
| SCHEMBL17346689 | 0.62 | PTGIR (0.52) | PDE4APDE4BPDE4CPDE4DUSP2 | |
| SCHEMBL1928095 | 0.62 | TSHR (0.58) | SIGMAR1BCHEACHE | |
| SCHEMBL2934330 | 0.62 | CXCR4 (0.69) | SIGMAR1CXCR4NPC1RAB9A | |
| SCHEMBL17019782 | 0.62 | TSHR (0.58) | SIGMAR1BCHEACHE | |
| SCHEMBL16083006 | 0.62 | CXCR4 (0.69) | SIGMAR1CXCR4NPC1RAB9A |
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-1824854-A2 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | Boehringer Ingelheim International GmbH (DE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006058869-A2 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-06-08 | — | — | WO | disclosed |