Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 4/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10512245 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498277 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL10512251 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9496209 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9496195 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498261 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498274 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498151 | 0.99 | FFAR1 (0.46) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498133 | 0.99 | FFAR1 (0.46) | FFAR1FFAR4HSD17B10TSHRSPHK1 | |
| SCHEMBL9498148 | 0.99 | FFAR1 (0.46) | FFAR1FFAR4HSD17B10TSHRSPHK1 |
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 |