Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.36 |
| ▸ | RELA | Q04206 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8682007 | 1.00 | NLRP3 (0.45) | NLRP3NFKB1NFKB2RELAPTPN1 | |
| SCHEMBL9316132 | 0.81 | NLRP3 (0.50) | NLRP3NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL9316233 | 0.81 | NLRP3 (0.50) | NLRP3NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL17733077 | 0.77 | MT-CO2 (0.33) | NFKB1NFKB2RELA | |
| SCHEMBL17189143 | 0.74 | NLRP3 (0.57) | NLRP3NFKB1NFKB2RELAPTPN1 | |
| SCHEMBL11950435 | 0.72 | — | — | |
| SCHEMBL8683550 | 0.72 | — | — | |
| SCHEMBL27828477 | 0.72 | NLRP3 (0.42) | NLRP3PTPN1ALDH1A1 | |
| SCHEMBL8683554 | 0.72 | — | — | |
| SCHEMBL8654077 | 0.70 | CYP3A4 (0.35) | NLRP3NFKB1NFKB2RELAALDH1A1 |
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-5739351-A | NEUROKININ A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1998-04-14 | — | — | US | disclosed |