Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27746366 | 0.69 | NLRP3 (0.43) | NLRP3ALDH1A1 | |
| SCHEMBL67893 | 0.65 | ALDH1A1 (0.48) | ALDH1A1LMNA | |
| SCHEMBL20241753 | 0.64 | — | — | |
| SCHEMBL9753247 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL26919968 | 0.63 | ALDH1A1 (0.50) | ALDH1A1LMNA | |
| SCHEMBL27473168 | 0.62 | TP53 (0.42) | ALDH1A1LMNA | |
| SCHEMBL27812089 | 0.61 | ALDH1A1 (0.48) | ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27556741 | 0.61 | ALDH1A1 (0.48) | ALDH1A1LMNA | |
| SCHEMBL27551040 | 0.61 | ALDH1A1 (0.43) | ALDH1A1LMNA | |
| SCHEMBL10525765 | 0.60 | ALDH1A1 (0.46) | ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101007815-B | Pyrrolehexa-heterocyclic compound and pharmaceutical use thereof | JIANGSU HENGRUI MEDICINE CO | 2010-06-23 | — | — | CN | disclosed |
| CN-101007815-A | Pyrrolehexa-heterocyclic compound and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2007-08-01 | — | — | CN | disclosed |