Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.53 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CTSA | P10619 | 8/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL6545572 | 0.88 | CTSA (0.54) | POLBCTSAFFAR1SMN1; SMN2ITGB3 | |
| SCHEMBL6668682 | 0.86 | ALDH1A1 (0.46) | KEAP1NFE2L2POLBCTSASMN1; SMN2 | |
| SCHEMBL6857598 | 0.83 | KEAP1 (0.59) | KEAP1NFE2L2CYP26A1POLBCTSA | |
| SCHEMBL28031292 | 0.82 | SMN1; SMN2 (0.56) | CYP26A1POLBSMN1; SMN2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7138695 | 0.80 | SMN1; SMN2 (0.54) | CYP26A1SMN1; SMN2ALDH1A1LMNAITGB3 | |
| Hydrochloric Acid SCHEMBL18989459 | 0.80 | SMN1; SMN2 (0.54) | CYP26A1SMN1; SMN2ALDH1A1LMNAITGB3 | |
| SCHEMBL7359308 | 0.80 | SLC1A3 (0.50) | CTSASMN1; SMN2ITGB3ITGA2B | |
| SCHEMBL15654637 | 0.79 | CYP26A1 (0.58) | KEAP1NFE2L2CYP26A1POLBCTSA | |
| SCHEMBL6667674 | 0.78 | MEN1 (0.51) | POLBCTSASMN1; SMN2ALDH1A1 | |
| SCHEMBL28784050 | 0.78 | SMN1; SMN2 (0.59) | POLBCTSAFFAR1SMN1; SMN2ALDH1A1 |
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-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |