Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12781446 | 0.74 | TDP1 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL28415101 | 0.73 | ACP3 (0.39) | CYP2C9CYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28882535 | 0.72 | CTNNB1 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL9304523 | 0.72 | TDP1 (0.38) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL753789 | 0.72 | TDP1 (0.38) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL5495958 | 0.71 | TDP1 (0.45) | CYP2C9CYP2C19ALDH1A1DHFRHPGD | |
| SCHEMBL7050745 | 0.70 | SLC6A2 (0.63) | CYP2C9CYP2C19CYP1A2SLC6A4SLC6A2 | |
| SCHEMBL7299447 | 0.70 | ALDH1A1 (0.46) | CYP2C9CYP2C19ALDH1A1CYP1A2ACP3 | |
| SCHEMBL28337644 | 0.70 | ALDH1A1 (0.46) | CYP2C9CYP2C19ALDH1A1CYP1A2ACP3 | |
| SCHEMBL6809535 | 0.70 | ALDH1A1 (0.35) | ALDH1A1KDM4EACP3DHFRTDP1 |
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-5919843-A | EPOXY-RESIN COMPONENT OBTAINED FROM A SOLVENT-FREE REACTION RESIN MIXTURE OF POLYEPOXY RESIN AND POLYISOCYANATE RESIN; PHENOLIC HARDENER; INORGANIC FILLER | SIEMENS AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |