Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 7/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9713051 | 1.00 | FFAR1 (0.33) | FFAR1ACACBHAO1CYP1A2P2RY6 | |
| SCHEMBL10524481 | 0.98 | FFAR1 (0.32) | FFAR1ACACBHAO1 | |
| SCHEMBL10524478 | 0.98 | FFAR1 (0.32) | FFAR1ACACBHAO1 | |
| SCHEMBL9712954 | 0.97 | FFAR1 (0.31) | FFAR1ACACBHAO1MMP13MMP14 | |
| SCHEMBL9712962 | 0.97 | FFAR1 (0.31) | FFAR1ACACBHAO1MMP13MMP14 | |
| SCHEMBL9712947 | 0.97 | FFAR1 (0.31) | FFAR1ACACBHAO1MMP13MMP14 | |
| SCHEMBL9713144 | 0.96 | FFAR1 (0.32) | FFAR1ACACBHAO1 | |
| SCHEMBL9713151 | 0.96 | FFAR1 (0.32) | FFAR1ACACBHAO1 | |
| SCHEMBL9713218 | 0.95 | GAA (0.32) | FFAR1ACACBHAO1 | |
| SCHEMBL9713187 | 0.95 | GAA (0.32) | FFAR1ACACBHAO1 |
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 |