Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 9/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9713057 | 0.97 | ACACB (0.49) | ACACBMCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL9712970 | 0.96 | ACACB (0.48) | ACACBMCHR1CHRM1HTR2AMAPT | |
| SCHEMBL9712808 | 0.96 | ACACB (0.48) | ACACBMCHR1CHRM1HTR2AMAPT | |
| SCHEMBL9713683 | 0.96 | ACACB (0.48) | ACACBMCHR1CHRM1HTR2AMAPT | |
| SCHEMBL9712769 | 0.95 | ACACB (0.56) | ACACBMCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL9816286 | 0.89 | ACACB (0.52) | ACACBMCHR1 | |
| SCHEMBL9712834 | 0.89 | ACACB (0.48) | ACACBMCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL9509479 | 0.87 | ACACB (0.47) | ACACBCYP2D6CYP3A4 | |
| SCHEMBL9713534 | 0.87 | ACACB (0.47) | ACACBMCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL9712775 | 0.86 | ACACB (0.50) | ACACBMCHR1CYP1A2MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5164114-A | LIQUID CRYSTAL | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1992-11-17 | — | — | US | disclosed |
| EP-0306521-B1 | ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1991-10-16 | — | — | EP | disclosed |