Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | PPIA | P62937 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661911 | 0.86 | ALDH1A1 (0.51) | ALDH1A1MAPK1LMNARAB9ATAAR1 | |
| SCHEMBL6964948 | 0.85 | TAAR1 (0.54) | ALDH1A1MAPK1TAAR1CASP3CASP7 | |
| SCHEMBL6967661 | 0.85 | CES2 (0.47) | ALDH1A1MAPK1LMNARAB9ACXCL8 | |
| SCHEMBL8645 | 0.84 | CXCL8 (0.65) | ALDH1A1MAPK1LMNARAB9ATAAR1 | |
| SCHEMBL29533621 | 0.84 | CXCL8 (0.65) | ALDH1A1MAPK1LMNARAB9ATAAR1 | |
| SCHEMBL3043083 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNARAB9ATAAR1 | |
| SCHEMBL11183199 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNARAB9ATAAR1 | |
| Hydrochloric Acid SCHEMBL1371542 | 0.82 | CXCL8 (0.62) | ALDH1A1MAPK1LMNARAB9ACXCL8 | |
| Fluoride SCHEMBL11183201 | 0.82 | CXCL8 (0.62) | ALDH1A1MAPK1LMNARAB9ACXCL8 | |
| SCHEMBL125583 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNARAB9ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |