Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GPR39 | O43194 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13015041 | 0.82 | DDB1 (0.50) | CXCR4CYP1A2TDP1CYP2C19MAPK1 | |
| SCHEMBL12526928 | 0.82 | CYP1A2 (0.44) | CXCR4CYP1A2TDP1CYP2C19HRH4 | |
| Hydrochloric Acid SCHEMBL3776452 | 0.81 | DDB1 (0.49) | CXCR4CYP1A2TDP1CYP2C19MAPK1 | |
| Hydrochloric Acid SCHEMBL1748890 | 0.81 | CYP1A2 (0.43) | CXCR4CYP1A2TDP1CYP2C19HRH4 | |
| SCHEMBL3774476 | 0.74 | PDE4A (0.46) | CYP1A2TDP1CYP2C19MAPK1NSD2 | |
| SCHEMBL1576738 | 0.71 | CYP1A2 (0.55) | CYP1A2TDP1GPR39DDB1CRBN | |
| SCHEMBL13950862 | 0.68 | MERTK (0.50) | CTSLCTSSCTSK | |
| SCHEMBL30775365 | 0.68 | DDB1 (0.42) | DDB1CRBNCTSLCTSBCTSS | |
| SCHEMBL28883722 | 0.68 | CYP1A2 (0.41) | CYP1A2TDP1CYP2C19HRH4HRH3 | |
| SCHEMBL21139461 | 0.67 | CYP1A2 (0.56) | CYP1A2TDP1CYP2C19HRH4HRH3 |
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-2001867-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |