Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 17/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | MTOR | P42345 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | EBP | Q15125 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11704179 | 1.00 | SIGMAR1 (0.58) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31052615 | 0.98 | SIGMAR1 (0.60) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18192167 | 0.93 | SIGMAR1 (0.60) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30666950 | 0.91 | SIGMAR1 (0.55) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23833670 | 0.89 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30049093 | 0.89 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3739484 | 0.84 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30487948 | 0.84 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30487943 | 0.84 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL155826 | 0.84 | SIGMAR1 (0.53) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 |
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 |