Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766249 | 0.96 | RARA (0.41) | RARBRARACYP2D6CYP3A4MCHR1 | |
| SCHEMBL8767150 | 0.89 | CHRNA7 (0.41) | NPC1RAB9ASMN1; SMN2MCHR1CHRM1 | |
| SCHEMBL9470533 | 0.86 | GRM5 (0.44) | RARBRARACYP2D6CYP3A4NPC1 | |
| SCHEMBL9434250 | 0.85 | MCHR1 (0.40) | RARBRARACYP2D6CYP3A4NPC1 | |
| SCHEMBL8767540 | 0.84 | TSHR (0.43) | RARBRARAHSD17B10ALDH1A1 | |
| SCHEMBL9469637 | 0.83 | NR5A1 (0.47) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL8766681 | 0.83 | HSD17B10 (0.49) | RARBRARACYP3A4HSD17B10CHRM1 | |
| SCHEMBL9469740 | 0.83 | ACACB (0.46) | — | |
| SCHEMBL8767207 | 0.82 | HSD17B10 (0.51) | RARBRARACYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL8766844 | 0.82 | HSD17B10 (0.51) | RARBRARACYP3A4RAB9ASMN1; SMN2 |
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 |