Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9712812 | 1.00 | ACACB (0.46) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9713338 | 1.00 | ACACB (0.46) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9713534 | 0.99 | ACACB (0.47) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL10524909 | 0.97 | ACACB (0.50) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9712834 | 0.96 | ACACB (0.48) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9712880 | 0.92 | ACACB (0.53) | ACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9713683 | 0.90 | ACACB (0.48) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9712808 | 0.90 | ACACB (0.48) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9712970 | 0.90 | ACACB (0.48) | ACACBMCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL9713057 | 0.88 | ACACB (0.49) | ACACBMCHR1KDM4EALDH1A1HPGD |
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 |