Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CDC25B | P30305 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969056 | 0.83 | CYP1A2 (0.50) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL7956484 | 0.81 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDCDC25BKMT2A | |
| Benzo[Def]Chrysene SCHEMBL7956841 | 0.69 | CYP1A2 (0.51) | ERBB2CYP1A2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL28634641 | 0.68 | CYP1A2 (0.79) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL22534132 | 0.67 | CDC25B (0.43) | CYP1A2KDM4EALDH1A1HPGDGLA | |
| SCHEMBL598810 | 0.67 | CYP1A2 (0.69) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL21034065 | 0.67 | KMT2A (0.52) | CYP1A2ACHEKDM4ENPSR1GAA | |
| SCHEMBL20912990 | 0.66 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDCDC25BKMT2A | |
| Benzo[Def]Chrysene SCHEMBL18221834 | 0.66 | CYP1A2 (0.73) | ERBB2CYP1A2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL18221835 | 0.66 | CYP1A2 (0.73) | ERBB2CYP1A2FYNMAOAACHE |
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 |