Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24146 | 0.93 | — | — | |
| SCHEMBL455656 | 0.93 | CYP2A6 (0.61) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL8068361 | 0.93 | CYP2A6 (0.61) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| Water SCHEMBL27920757 | 0.90 | CYP2A6 (0.57) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL28222110 | 0.90 | — | — | |
| SCHEMBL74194 | 0.84 | ALDH1A1 (0.55) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| Cyanide SCHEMBL27799852 | 0.84 | CYP2A6 (0.50) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL10356669 | 0.84 | ALDH1A1 (0.55) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| Iodobenzene SCHEMBL22799141 | 0.81 | ALDH1A1 (0.56) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL28085738 | 0.81 | CYP2A6 (0.47) | CYP2A6APPALDH1A1ALOX15MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791824-A1 | RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER | Showa Denko K.K. (JP) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006033438-A1 | RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER | SHOWA DENKO K.K. (JP) | 2006-03-30 | — | — | WO | disclosed |