Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5155194 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19POLBMAPT | |
| SCHEMBL5150122 | 0.90 | MAPT (0.42) | CYP1A2CYP3A4CYP2C19MAPTMAPK1 | |
| SCHEMBL5149679 | 0.89 | MAPT (0.43) | CYP1A2CYP3A4CYP2C19MAPTMAPK1 | |
| SCHEMBL8067784 | 0.89 | CYP3A4 (0.44) | CYP1A2CYP3A4CYP2C19POLBMAPT | |
| SCHEMBL6966611 | 0.88 | MAPT (0.42) | CYP1A2CYP3A4CYP2C19POLBMAPT | |
| SCHEMBL5151613 | 0.88 | MAPT (0.42) | CYP1A2CYP3A4CYP2C19POLBMAPT | |
| SCHEMBL5153035 | 0.86 | MAPT (0.40) | CYP1A2CYP3A4CYP2C19MAPTMAPK1 | |
| SCHEMBL5151898 | 0.86 | MAPT (0.40) | CYP1A2CYP3A4CYP2C19MAPTMAPK1 | |
| SCHEMBL5150176 | 0.85 | MAPK1 (0.40) | CYP1A2CYP3A4CYP2C19POLBMAPT | |
| SCHEMBL8059684 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19POLBMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |