Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 9/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8767188 | 0.96 | RARB (0.45) | RARARARBERN1MCHR1CHRM1 | |
| SCHEMBL8767150 | 0.90 | CHRNA7 (0.41) | ERN1MCHR1CHRM1HTR2AGRM5 | |
| SCHEMBL9434250 | 0.88 | MCHR1 (0.40) | RARARARBERN1MCHR1CHRM1 | |
| SCHEMBL9469740 | 0.87 | ACACB (0.46) | GRM5ACACBAPP | |
| SCHEMBL8766245 | 0.85 | ALDH1A1 (0.41) | MCHR1CHRM1HTR2ACYP2D6GRM5 | |
| SCHEMBL8766829 | 0.85 | NPC1 (0.40) | MCHR1CHRM1HTR2AGRM5ACACB | |
| SCHEMBL9433854 | 0.83 | MAOB (0.38) | MCHR1CHRM1HTR2AMAOBCYP2D6 | |
| SCHEMBL8766258 | 0.82 | CYP17A1 (0.37) | RARARARBMAOBGRM5ACACB | |
| SCHEMBL8766246 | 0.82 | CYP17A1 (0.39) | RARARARBGRM5ACACB | |
| SCHEMBL9470533 | 0.81 | GRM5 (0.44) | RARARARBMCHR1CYP3A4CYP2D6 |
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 |