Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.58 |
| ▸ | TOP2A | P11388 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11312355 | 0.93 | TOP2A (0.61) | NLRP3TOP2AUSP2HSD17B10CYP4F2 | |
| SCHEMBL11311241 | 0.91 | TOP2A (0.63) | NLRP3TOP2AUSP2HSD17B10CYP4F2 | |
| SCHEMBL11138734 | 0.84 | TOP2A (0.59) | NLRP3TOP2ACYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL7340836 | 0.84 | TOP2A (0.58) | NLRP3TOP2AUSP2HSD17B10PDE5A | |
| SCHEMBL11139213 | 0.82 | NLRP3 (0.63) | NLRP3HSD17B10KDM4EMAPTALDH1A1 | |
| SCHEMBL9830020 | 0.82 | TOP2A (0.61) | NLRP3TOP2AUSP2HSD17B10CYP4F2 | |
| SCHEMBL10950253 | 0.82 | PTGS2 (0.44) | NLRP3HSD17B10KDM4EMAPTALDH1A1 | |
| SCHEMBL3668324 | 0.80 | TOP2A (0.60) | TOP2AUSP2HSD17B10CYP4F2CYP4A11 | |
| SCHEMBL2498217 | 0.80 | TOP2A (0.56) | TOP2ACYP4F2CYP4A11PDE5AELANE | |
| SCHEMBL28054991 | 0.79 | PTGS2 (0.46) | NLRP3HSD17B10KDM4EMAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4250183-A | GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-02-10 | — | — | US | disclosed |