Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.31 |
| ▸ | MTOR | P42345 | 4/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL9508806 | 0.89 | GRM5 (0.41) | CYP17A1CYP11B1CYP11B2GRM5CYP2A6 | |
| SCHEMBL8766258 | 0.89 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GRM5RARA | |
| SCHEMBL8767540 | 0.86 | TSHR (0.43) | CYP17A1CYP11B1CYP11B2GRM5RARA | |
| SCHEMBL8766681 | 0.85 | HSD17B10 (0.49) | RARARARBRARGMEN1KMT2A | |
| SCHEMBL8755905 | 0.84 | CYP2A6 (0.40) | CYP2A6RARARARBRARGACACB | |
| SCHEMBL12736435 | 0.84 | CYP2A6 (0.45) | GRM5CYP2A6RARARARBRARG | |
| SCHEMBL8767207 | 0.84 | HSD17B10 (0.51) | RARARARBRARGMEN1KMT2A | |
| SCHEMBL8766844 | 0.84 | HSD17B10 (0.51) | RARARARBRARGMEN1KMT2A | |
| SCHEMBL8767150 | 0.83 | CHRNA7 (0.41) | CYP11B1CYP11B2GRM5L3MBTL1 | |
| SCHEMBL8979061 | 0.82 | CYP2A6 (0.44) | CYP2A6ACACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0543244-B1 | Fluoro substituted tolans and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 1997-08-20 | — | — | EP | disclosed |
| US-5372746-A | Fluoro-substituted tolane compounds and liquid crystalline mixtures containing same | HOFFMANN-LA ROCHE INC. (US) | 1994-12-13 | — | — | US | disclosed |
| EP-0543244-A1 | Fluoro substituted tolans and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |