Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353801 | 0.81 | AKR1C3 (0.43) | ESR1HIF1ACYP19A1AKR1C3AKR1C2 | |
| SCHEMBL11362145 | 0.74 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ALOX5 | |
| SCHEMBL10683115 | 0.74 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ESR1 | |
| SCHEMBL7387231 | 0.72 | NPC1 (0.32) | ESR1HIF1AELANE | |
| SCHEMBL600267 | 0.69 | AKR1C3 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ALOX5 | |
| SCHEMBL7386582 | 0.68 | L3MBTL1 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4ALOX5 | |
| SCHEMBL14941251 | 0.67 | ESR1 (0.49) | ESR1HIF1ACYP19A1AKR1C3AKR1C2 | |
| SCHEMBL11210301 | 0.67 | LMNA (0.48) | ESR1HIF1ACYP19A1AKR1C3AKR1C2 | |
| SCHEMBL4488140 | 0.67 | AKR1C3 (0.45) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL7347806 | 0.66 | MEN1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5314910-A | 2-Heteroaromatic alkanoate esters useful as inhibitors of human leukocyte or neutrophil elastase | CORTECH INC. (US) | 1994-05-24 | — | — | US | disclosed |
| US-5240956-A | Phenyl 2-heteroaromatic-alkanoates, elastase inhibitors | CORTECH, INC. (US) | 1993-08-31 | — | — | US | disclosed |