Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.48 |
| ▸ | TOP2A | P11388 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 SCHEMBL7956841 | 0.85 | CYP1A2 (0.51) | TNFCYP4F2CYP4A11TOP2AALDH1A1 | |
| O-Xylene SCHEMBL27482669 | 0.84 | CYP4F2 (0.49) | CYP4F2CYP4A11ALDH1A1KDM4EGAA | |
| SCHEMBL525668 | 0.80 | — | — | |
| Ethane SCHEMBL27723238 | 0.78 | CYP1A2 (0.48) | CYP4F2CYP4A11ALDH1A1LMNAMAPT | |
| SCHEMBL6707308 | 0.77 | TNF (0.46) | TNFCYP4F2CYP4A11TOP2AALDH1A1 | |
| SCHEMBL9614832 | 0.77 | TNF (0.44) | TNFCYP4F2CYP4A11TOP2AALDH1A1 | |
| SCHEMBL9614833 | 0.77 | TNF (0.44) | TNFCYP4F2CYP4A11TOP2AALDH1A1 | |
| Phenanthrene SCHEMBL7966056 | 0.77 | CYP1A2 (0.53) | ALDH1A1HPGDKDM4EGLAGAA | |
| Naphthalene SCHEMBL27674005 | 0.77 | CYP4F2 (0.54) | TNFCYP4F2CYP4A11TOP2AALDH1A1 | |
| Naphthalene SCHEMBL28174978 | 0.75 | GAA (0.50) | CYP4F2CYP4A11ALDH1A1HPGDKDM4E |
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 |