Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL7956477 | 0.85 | TNF (0.50) | TNFTOP2ACYP4F2CYP4A11MAPT | |
| Benzo[Def]Chrysene SCHEMBL7969058 | 0.83 | CYP1A2 (0.59) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL7966135 | 0.79 | CYP1A2 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL28634641 | 0.75 | CYP1A2 (0.79) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28581299 | 0.74 | KDM4E (0.51) | CYP1A2TNFTOP2ACYP4F2CYP4A11 | |
| O-Xylene SCHEMBL27482669 | 0.74 | CYP4F2 (0.49) | CYP4F2CYP4A11KMT2AKDM4EALDH1A1 | |
| Benzo[Def]Chrysene SCHEMBL23414475 | 0.71 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL24019 | 0.71 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL29407951 | 0.71 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL29352452 | 0.71 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE |
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 |