Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30353250 | 0.90 | LMNA (0.32) | SMN1; SMN2 | |
| SCHEMBL23645181 | 0.79 | MEN1 (0.32) | PDE7AALDH1A1 | |
| SCHEMBL16844663 | 0.68 | DRD1 (0.30) | — | |
| Cyclohexane SCHEMBL23674790 | 0.67 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL24505981 | 0.67 | OXTR (0.48) | — | |
| SCHEMBL3923960 | 0.64 | OXTR (0.49) | — | |
| SCHEMBL10648981 | 0.63 | HTR2A (0.33) | — | |
| SCHEMBL14077642 | 0.62 | — | — | |
| SCHEMBL15144578 | 0.62 | TNKS (0.43) | ALDH1A1 | |
| SCHEMBL11290237 | 0.62 | PGR (0.35) | PDE7AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113087700-B | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2023-03-14 | — | — | CN | disclosed |