Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30026696 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GAAL3MBTL1LMNANPC1 | |
| SCHEMBL2061806 | 0.81 | CASP3 (0.43) | ALDH1A1GAANPC1MAPTRAB9A | |
| SCHEMBL2060905 | 0.81 | CASP3 (0.50) | ALDH1A1GAALMNAMAPTCASP1 | |
| SCHEMBL2061012 | 0.78 | TDP1 (0.45) | ALDH1A1GAAL3MBTL1LMNAMAPT | |
| SCHEMBL9499652 | 0.77 | L3MBTL1 (0.51) | ALDH1A1GAAL3MBTL1LMNACASP1 | |
| SCHEMBL27490442 | 0.77 | PNMT (0.56) | ALDH1A1GAALMNACASP1CASP3 | |
| Hydrochloric Acid SCHEMBL7552765 | 0.75 | PNMT (0.55) | ALDH1A1GAALMNACASP1CASP3 | |
| SCHEMBL23769053 | 0.75 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1LMNANPC1 | |
| SCHEMBL13217272 | 0.74 | ALDH1A1 (0.48) | ALDH1A1GAALMNAMAPTSMN1; SMN2 | |
| SCHEMBL24316839 | 0.74 | PNMT (0.39) | ALDH1A1SMN1; SMN2NR1H2NR1H3HTT |
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-5089025-A | HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-02-18 | — | — | US | disclosed |