Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 14/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9856080 | 0.88 | NPC1 (0.48) | ACACBMCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL9854970 | 0.88 | ACACB (0.47) | ACACBMCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL9855701 | 0.85 | APP (0.49) | ACACBMCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL9855096 | 0.85 | NPC1 (0.46) | ACACBMCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL9855564 | 0.84 | HPGD (0.47) | MCHR1CYP2D6CHRM1HTR2ATSHR | |
| SCHEMBL9152764 | 0.83 | ACACB (0.50) | ACACBNQO1 | |
| SCHEMBL10513163 | 0.83 | MCHR1 (0.45) | ACACBMCHR1TSHRTDP1 | |
| SCHEMBL9495546 | 0.83 | ACACB (0.53) | ACACBNQO1MCHR1CYP2D6CHRM1 | |
| SCHEMBL9855141 | 0.82 | FFAR1 (0.42) | ACACBMCHR1TDP1 | |
| SCHEMBL9496359 | 0.81 | ACACB (0.58) | ACACBNQO1MCHR1TSHRTDP1 |
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 |