Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9713629 | 1.00 | ACACB (0.40) | ACACBKDM1ARCOR1FFAR1TSHR | |
| SCHEMBL9713425 | 0.92 | FFAR1 (0.41) | ACACBKDM1ARCOR1FFAR1TSHR | |
| SCHEMBL9713419 | 0.92 | FFAR1 (0.41) | ACACBKDM1ARCOR1FFAR1TSHR | |
| SCHEMBL9713533 | 0.90 | SPHK1 (0.43) | ACACBFFAR1FFAR4 | |
| SCHEMBL9713535 | 0.90 | SPHK1 (0.43) | ACACBFFAR1FFAR4 | |
| SCHEMBL9712917 | 0.89 | SPHK1 (0.47) | ACACBFFAR1FFAR4 | |
| SCHEMBL9712913 | 0.89 | SPHK1 (0.47) | ACACBFFAR1FFAR4 | |
| SCHEMBL9713512 | 0.88 | SPHK1 (0.49) | ACACBFFAR1TSHRFAAH | |
| SCHEMBL9713258 | 0.88 | SPHK1 (0.49) | ACACBFFAR1TSHRFAAH | |
| SCHEMBL9713685 | 0.88 | SPHK1 (0.49) | ACACBFFAR1TSHRFAAH |
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 |