Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 6/20 | 0.50 |
| ▸ | ACACB | O00763 | 4/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496274 | 0.97 | MCHR1 (0.48) | MCHR1ACACBGRM5CYP2D6CHRM1 | |
| SCHEMBL9497983 | 0.96 | MCHR1 (0.47) | MCHR1ACACB | |
| SCHEMBL9500610 | 0.96 | MCHR1 (0.47) | MCHR1ACACB | |
| SCHEMBL9496650 | 0.96 | MCHR1 (0.47) | MCHR1ACACB | |
| SCHEMBL9495680 | 0.94 | ACACB (0.53) | MCHR1ACACBGRM5CYP2D6CHRM1 | |
| SCHEMBL9500659 | 0.89 | MCHR1 (0.53) | MCHR1ACACBCYP2D6CHRM1HTR2A | |
| SCHEMBL9495556 | 0.88 | ACACB (0.54) | MCHR1ACACBGRM5 | |
| SCHEMBL9497308 | 0.86 | KDM4E (0.51) | MCHR1ACACBCYP2D6CHRM1HTR2A | |
| SCHEMBL9497336 | 0.84 | ACACB (0.52) | MCHR1ACACBCYP2D6CHRM1HTR2A | |
| SCHEMBL9496092 | 0.84 | MCHR1 (0.54) | MCHR1ACACBCYP2D6CHRM1HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |