Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 9/20 | 0.46 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10687573 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10689924 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10684791 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10688184 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10682544 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10689111 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10686697 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10686733 | 0.99 | ALDH1A1 (0.50) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10689657 | 0.97 | ALDH1A1 (0.53) | ALDH1A1THRATHRBSPHK1SPHK2 | |
| SCHEMBL10689721 | 0.97 | ALDH1A1 (0.49) | ALDH1A1THRATHRBSPHK1SPHK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |