Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9848301 | 0.75 | CYP2A6 (0.38) | CYP2A6ALDH1A1ALOX15MAPK1GSK3B | |
| SCHEMBL10554150 | 0.74 | ALOX15 (0.42) | ALDH1A1ALOX15 | |
| SCHEMBL3685814 | 0.74 | ALOX15 (0.42) | ALDH1A1ALOX15 | |
| SCHEMBL3684089 | 0.74 | ALOX15 (0.42) | ALDH1A1ALOX15 | |
| SCHEMBL9848309 | 0.74 | MAOB (0.46) | ALDH1A1TDP1 | |
| SCHEMBL9848304 | 0.72 | MAOB (0.42) | — | |
| SCHEMBL9848315 | 0.69 | TP53 (0.39) | CYP2A6ALDH1A1MAPK1TDP1 | |
| SCHEMBL24077324 | 0.68 | CYP2A6 (0.42) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL9848308 | 0.67 | CA12 (0.42) | ALDH1A1ALOX15TDP1 | |
| SCHEMBL9848307 | 0.66 | ALDH1A1 (0.39) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4210930-A | — | — | None | — | — | JP | disclosed |
| JP-H04210930-A | 1,1-BICYCLO-SUBSTITUTED FLUORINE-CONTAINING CYCLOPENTANE AND ITS PREPARATION | BAYER AG | 1992-08-03 | — | — | JP | disclosed |
| EP-0438715-A2 | 1,1-Bicyclo-substituted fluorinated cyclopentanes and method for their production | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |