Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686739 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10686727 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10549667 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10549677 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10549649 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10688151 | 0.86 | CARM1 (0.43) | ALDH1A1HTTGRM2SCN1ASCN2A | |
| SCHEMBL10688163 | 0.86 | CARM1 (0.43) | ALDH1A1HTTGRM2SCN1ASCN2A | |
| SCHEMBL10688146 | 0.86 | CARM1 (0.43) | ALDH1A1HTTGRM2SCN1ASCN2A | |
| SCHEMBL10549657 | 0.82 | HTT (0.40) | ALDH1A1HTTGRM2CYP2C9NAAA | |
| SCHEMBL10685709 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GRM2MAPTLMNASMN1; SMN2 |
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 |