Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5718810 | 0.97 | ALDH1A1 (0.45) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL9414092 | 0.80 | TAAR1 (0.40) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL27328050 | 0.73 | NOS3 (0.49) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL930197 | 0.72 | HRH3 (0.39) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL12330071 | 0.71 | NOS1 (0.40) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL522952 | 0.67 | KCNH2 (0.55) | NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL1290871 | 0.65 | ALDH1A1 (0.75) | ALDH1A1TSHRDNM1SIGMAR1HRH4 | |
| SCHEMBL21216 | 0.65 | ALDH1A1 (0.91) | ALDH1A1TSHRDNM1SIGMAR1 | |
| SCHEMBL212626 | 0.65 | — | — | |
| SCHEMBL9333223 | 0.65 | ALDH1A1 (0.53) | ALDH1A1TSHRDNM1SIGMAR1HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112204064-B | Adducts of amine catalysts for the production of isocyanurate polymers | 科思创知识产权两合公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-116472300-A | Reaction mixture for producing foams based on inorganic fillers comprising closed-cell rigid polyurethane or polyisocyanurate | 亨斯迈国际有限责任公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-112020525-B | Adducts of amine catalysts for preparing isocyanurate polymers | 科思创知识产权两合公司 | 2023-05-16 | — | — | CN | disclosed |