Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | OGG1 | O15527 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3757571 | 0.71 | CYP2A6 (0.57) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL11317187 | 0.71 | ALDH1A1 (0.42) | CYP2A6ALDH1A1MAPK1HTR2ATDP1 | |
| SCHEMBL6251363 | 0.71 | ACHE (0.47) | CYP2A6ALDH1A1TAAR1IDO1TDP1 | |
| SCHEMBL4276353 | 0.69 | CYP2A6 (0.53) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL18508 | 0.69 | — | — | |
| SCHEMBL9806650 | 0.67 | TDP1 (0.41) | ALDH1A1TDP1TSHR | |
| SCHEMBL11202847 | 0.67 | CYP2A6 (0.42) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL2884210 | 0.67 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL9717534 | 0.67 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1TAAR1 | |
| SCHEMBL11770595 | 0.67 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 |
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-1117668-B1 | FLUOROUS PHOSPHINES AND PROCESS FOR THEIR PREPARATION | ATOFINA VLISSINGEN B V (NL) | 2002-12-11 | — | — | EP | disclosed |
| US-6458978-B1 | FORMING PHOSPHINES AS CATALYSTS | ATOFINA VLISSINGEN B.V. (NL) | 2002-10-01 | — | — | US | disclosed |