Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855341 | 0.97 | ACACB (0.44) | ACACBMCHR1NPC1RAB9AHSD17B10 | |
| SCHEMBL9854857 | 0.96 | NR5A1 (0.45) | ACACBMCHR1NPC1RAB9AHSD17B10 | |
| SCHEMBL9855145 | 0.94 | MCHR1 (0.46) | ACACBMCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL9855368 | 0.91 | ACACB (0.51) | ACACBMCHR1NPC1RAB9AHSD17B10 | |
| SCHEMBL9855567 | 0.88 | ACACB (0.44) | ACACBMCHR1NPC1 | |
| SCHEMBL9854953 | 0.88 | NR5A1 (0.50) | ACACBMCHR1NPC1RAB9ACYP2D6 | |
| SCHEMBL10515249 | 0.86 | MCHR1 (0.42) | ACACBMCHR1LTA4HNR5A1KDM4E | |
| SCHEMBL9855378 | 0.84 | ACACB (0.49) | ACACBMCHR1NPC1RAB9AHSD17B10 | |
| SCHEMBL9855090 | 0.84 | ACACB (0.46) | ACACBMCHR1NPC1RAB9AHSD17B10 | |
| SCHEMBL9855167 | 0.82 | ACACB (0.41) | ACACBMCHR1HSD17B10ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |