Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8983703 | 0.79 | NLRP3 (0.35) | NLRP3ALDH1A1LMNATP53 | |
| SCHEMBL16420274 | 0.75 | RAB9A (0.33) | LMNA | |
| SCHEMBL31725737 | 0.73 | RAB9A (0.38) | — | |
| SCHEMBL790554 | 0.72 | KDM4E (0.56) | ALDH1A1LMNA | |
| SCHEMBL14480051 | 0.72 | — | — | |
| SCHEMBL23014988 | 0.71 | TSHR (0.54) | ALDH1A1LMNA | |
| SCHEMBL23014933 | 0.71 | TSHR (0.54) | ALDH1A1LMNA | |
| SCHEMBL23532681 | 0.69 | — | — | |
| SCHEMBL588584 | 0.69 | TSHR (0.39) | ALDH1A1LMNA | |
| SCHEMBL11651534 | 0.69 | — | — |
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-5550239-A | REACTING TRIALKYLSILYL N-PENTYLPIPERAZINYLPYRIMIDINE DERIVATIVE WITH 4-AMINO-3-IODO-BENZENESULFONAMIDE COMPOUND IN PALLADIUM CATALYZED HETEROANNULATION STEP, REMOVING TRIALKYLSILYL GROUP WITH MINERAL ACID, BASIFYING | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| EP-0711769-A1 | Improved process for large-scale production of BMS 180048 and analogs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-15 | — | — | EP | disclosed |