Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.37 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9236343 | 0.79 | — | — | |
| SCHEMBL9236337 | 0.79 | — | — | |
| SCHEMBL6150955 | 0.79 | CHRM5 (0.43) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL1976670 | 0.79 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL11444677 | 0.77 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL9115577 | 0.77 | MMP1 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL21625252 | 0.74 | ALDH1A1 (0.36) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL20825380 | 0.73 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL28552211 | 0.73 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10CHRM5CHRM1 | |
| SCHEMBL3872048 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995021606-A1 | 2,2,4-TRIMETHYL-PENTEN-1-YL COMPOUNDS, FRAGRANCE AND FLAVOR COMPOSITIONS | UNION CAMP CORPORATION (US) | 1995-08-17 | — | — | WO | disclosed |
| EP-0317975-B1 | PROCESS FOR THE PRODUCTION OF SATURATED NEO-ALCOHOLS | UNION CARBIDE CORPORATION (US) | 1993-04-28 | — | — | EP | disclosed |
| US-4886919-A | GAS PHASE HYDROGENATION OF UNSATURATED TRISUBSTITUTED MONOESTERS | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1989-12-12 | — | — | US | disclosed |
| EP-0317975-A2 | Process for the production of saturated neo-alcohols | UNION CARBIDE CORPORATION (US) | 1989-05-31 | — | — | EP | disclosed |