Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17870807 | 0.87 | ALDH1A1 (0.43) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| SCHEMBL9655005 | 0.82 | AKR1C3 (0.44) | ALDH1A1MAPK1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL9655014 | 0.82 | AKR1C3 (0.44) | ALDH1A1MAPK1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL12919855 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| SCHEMBL5980826 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| SCHEMBL2192115 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| Water SCHEMBL2557318 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| SCHEMBL16958210 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 | |
| SCHEMBL4573533 | 0.78 | MAPT (0.49) | ALDH1A1MAPK1SMN1; SMN2MAPTLMNA | |
| SCHEMBL28817964 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3 |
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-3237403-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | Galderma Research & Development (FR) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102882-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2016-06-30 | — | — | WO | disclosed |