Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.44 |
| ▸ | RELA | Q04206 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 6/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857138 | 0.86 | NFKB1 (0.47) | NLRP3NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL10768771 | 0.84 | NLRP3 (0.46) | NLRP3NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL9856628 | 0.80 | NFKB1 (0.44) | NLRP3NFKB1NFKB2RELA | |
| SCHEMBL9856316 | 0.79 | NFKB1 (0.43) | NLRP3NFKB1NFKB2RELA | |
| SCHEMBL9856807 | 0.79 | NFKB1 (0.43) | NLRP3NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL6439354 | 0.77 | NFKB1 (0.49) | NLRP3NFKB1NFKB2RELACYP19A1 | |
| SCHEMBL2816078 | 0.77 | NFKB1 (0.49) | NLRP3NFKB1NFKB2RELACYP19A1 | |
| SCHEMBL2816076 | 0.77 | NFKB1 (0.49) | NLRP3NFKB1NFKB2RELACYP19A1 | |
| SCHEMBL10775509 | 0.74 | ALDH1A1 (0.44) | NLRP3ALDH1A1CYP19A1SLC18A3 | |
| SCHEMBL14586691 | 0.73 | NFKB1 (0.60) | NFKB1NFKB2RELAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-62142130-A | — | — | None | — | — | JP | disclosed |
| US-5041620-A | Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-08-20 | — | — | US | disclosed |
| JP-S62142130-A | OPTICALLY ACTIVE CYCLOPENTENONE ESTER COMPLEX AND ITS PREPARATION | SUMITOMO CHEM CO LTD | 1987-06-25 | — | — | JP | disclosed |