Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | WDR5 | P61964 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzo[Def]Chrysene SCHEMBL7969058 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| Biphenyl SCHEMBL28382562 | 0.80 | FFAR1 (0.57) | CYP1A2CYP2C19ALDH1A1HSD17B10HPGD | |
| Phenanthrene SCHEMBL11817805 | 0.79 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| Phenanthrene SCHEMBL7956477 | 0.77 | TNF (0.50) | ALDH1A1KDM4EHPGDGLAGAA | |
| O-Xylene SCHEMBL27464940 | 0.77 | NR4A2 (0.45) | CYP1A2CYP2C19ALDH1A1GAATSHR | |
| Chlorobenzene SCHEMBL10599624 | 0.77 | NR4A2 (0.45) | CYP1A2CYP2C19ALDH1A1GAATSHR | |
| Toluene SCHEMBL10600992 | 0.77 | KMT2A (0.50) | CYP1A2CYP2C19ALDH1A1GAATDP1 | |
| Fluorobenzene SCHEMBL10599852 | 0.77 | NR4A2 (0.45) | CYP1A2CYP2C19CYP2D6ALDH1A1KDM4E | |
| SCHEMBL30778406 | 0.75 | ALDH1A1 (0.59) | CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10 | |
| Naphthalene SCHEMBL30124954 | 0.75 | NR4A2 (0.61) | CYP1A2CYP2C19CYP2D6ALDH1A1GAA |
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-6277964-B1 | MONOCLONAL ANTIBODY WHICH BINDS POLYCYCLIC AROMATIC COMPOUNDS SUCH AS PHENANTHRENE AND BENZO(A)PYRENE; SENSITIVE AND ACCURATE ENVIRONMENTAL AND EXHAUST GAS MONITORING | OSAKA GAS COMPANY LIMITED (JP) | 2001-08-21 | — | — | US | disclosed |