Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9433084 | 0.91 | CHRNA7 (0.39) | NPC1RAB9ASMN1; SMN2HSD17B10CHRM1 | |
| SCHEMBL8766245 | 0.86 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8766249 | 0.85 | RARA (0.41) | CHRM1HTR2AMCHR1GRM5ACACB | |
| SCHEMBL8766815 | 0.84 | KDM1A (0.32) | KDM4EGRM5MAPTALDH1A1KDM1A | |
| SCHEMBL8767583 | 0.84 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2HSD17B10GRM5 | |
| SCHEMBL8767204 | 0.84 | RXRA (0.36) | GRM5 | |
| SCHEMBL8766253 | 0.82 | RARB (0.38) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8767188 | 0.81 | RARB (0.45) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL8766819 | 0.81 | RARB (0.43) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL9469740 | 0.80 | ACACB (0.46) | GRM5ACACBCHRNA7 |
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 |