Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19828185 | 0.90 | SIGMAR1 (0.33) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29793198 | 0.90 | SIGMAR1 (0.33) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2359795 | 0.82 | HTR2C (0.41) | SIGMAR1DRD2TSHRHTR2AHTR2C | |
| SCHEMBL3400338 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1588576 | 0.81 | HTR2A (0.40) | SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL23645453 | 0.79 | SIGMAR1 (0.37) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23645472 | 0.78 | SIGMAR1 (0.36) | SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL28603430 | 0.78 | HTR2A (0.35) | SIGMAR1HTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL22507670 | 0.76 | CA1 (0.32) | SIGMAR1 | |
| SCHEMBL12964445 | 0.76 | CYP2D6 (0.44) | 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 |