Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857431 | 0.84 | CYP1A2 (0.44) | CYP2A6CYP1A2THRBCNR2ALDH1A1 | |
| SCHEMBL9857366 | 0.81 | GPR84 (0.43) | CYP1A2TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL9856903 | 0.80 | WDR5 (0.47) | CYP2A6CYP1A2THRBCNR2ALDH1A1 | |
| SCHEMBL6548332 | 0.80 | CA12 (0.54) | CYP2A6CYP1A2THRBCA12CA1 | |
| SCHEMBL6253078 | 0.79 | THRB (0.49) | CYP2A6CYP1A2THRBTDP1MAOA | |
| SCHEMBL230034 | 0.76 | TSHR (0.54) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL29626829 | 0.76 | TSHR (0.54) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL18322335 | 0.76 | GSTP1 (0.52) | CYP1A2ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL5491328 | 0.76 | ALDH1A1 (0.49) | CYP2A6CYP1A2THRBCA12CA1 | |
| SCHEMBL9856898 | 0.75 | ERN1 (0.47) | CYP2A6CYP1A2THRBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0426846-A1 | FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-05-15 | — | — | EP | disclosed |