Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.44 |
| ▸ | RBBP9 | O75884 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | HSPA5 | P11021 | 3/20 | 0.35 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288328 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| Hydrochloric Acid SCHEMBL5728682 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| SCHEMBL29469558 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| SCHEMBL2625495 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| SCHEMBL19405346 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| SCHEMBL26113007 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HSPA9RBBP9LMNATSHR | |
| SCHEMBL18649650 | 0.78 | ALDH1A1 (0.57) | ALDH1A1HSPA9RBBP9PLA2G4ACTSK | |
| Valine SCHEMBL4841645 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HSPA9LMNATSHRHSPA5 | |
| SCHEMBL2038967 | 0.73 | ALDH1A1 (0.55) | ALDH1A1HSPA9RBBP9PLA2G4APLA2G7 | |
| SCHEMBL13637584 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HSPA9RBBP9PLA2G4ACTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0291234-B1 | Peptidic human leukocyte elastase (HLE) inhibitors | ZENECA INC (US) | 1994-03-23 | — | — | EP | disclosed |
| US-5164371-A | HETEROCYCLIC KETONES | ICI AMERICAS INC. (US) | 1992-11-17 | — | — | US | disclosed |
| EP-0291234-A2 | Peptidic human leukocyte elastase (HLE) inhibitors | ZENECA INC. (US) | 1988-11-17 | — | — | EP | disclosed |