Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29025787 | 0.87 | PTGS2 (0.46) | PTGS2CA12CA1CA2CA4 | |
| SCHEMBL9445687 | 0.84 | PTGS2 (0.50) | PTGS2ELANE | |
| SCHEMBL7927502 | 0.80 | ELANE (0.47) | PTGS2ELANE | |
| SCHEMBL8435546 | 0.80 | ALOX15 (0.55) | ELANE | |
| SCHEMBL13402829 | 0.79 | PTGS2 (0.45) | PTGS2ELANE | |
| SCHEMBL10509697 | 0.77 | CA1 (0.53) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8692787 | 0.77 | PTGS2 (0.53) | PTGS2ELANE | |
| SCHEMBL7921268 | 0.74 | ACHE (0.46) | PTGS2ELANE | |
| SCHEMBL7396550 | 0.74 | ELANE (0.40) | PTGS2ELANE | |
| SCHEMBL16208732 | 0.74 | PKM (0.56) | PTGS2ELANE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0747392-B1 | 1,2-Diazepine containing dual action inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5635504-A | Diazepine containing dual action inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0747392-A1 | 1,2-Diazepine containing dual action inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |
| US-4611002-A | Carboxymethyl esters of mercaptopropanoic acids as enkephalinase inhibitors | E. R. SQUIBB AND SONS, INC. (US) | 1986-09-09 | — | — | US | disclosed |