Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3887558 | 0.72 | TSHR (0.43) | ALDH1A1CYP2A6TRPA1ATMTSHR | |
| Formaldehyde SCHEMBL11059015 | 0.67 | ALDH1A1 (0.82) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| Formaldehyde SCHEMBL27893306 | 0.65 | TRPA1 (0.52) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| O-Xylene SCHEMBL26853 | 0.64 | TSHR (0.77) | ALDH1A1CYP2A6CYP1A2TSHRACHE | |
| SCHEMBL2093524 | 0.63 | TDP1 (0.44) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| Ethylene SCHEMBL28083943 | 0.63 | ALDH1A1 (0.88) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| Formaldehyde SCHEMBL1056693 | 0.63 | CYP1A2 (0.81) | ALDH1A1CYP2A6CYP1A2ATMTSHR | |
| Ethylene SCHEMBL25437125 | 0.61 | TRPA1 (0.55) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| SCHEMBL11575272 | 0.61 | ALDH1A1 (1.00) | ALDH1A1CYP2A6CYP1A2TRPA1ATM | |
| SCHEMBL64141 | 0.61 | — | — |
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-4433152-A | ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT | NIPPON CHEMIPHAR CO., LTD. (JP) | 1984-02-21 | — | — | US | disclosed |