Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28228485 | 0.79 | TSHR (0.35) | ALDH1A1TSHRLMNAMAPT | |
| SCHEMBL28304501 | 0.75 | DRD2 (0.37) | CYP2A6CYP2A13ALDH1A1TSHRNPC1 | |
| SCHEMBL19475118 | 0.74 | NLRP3 (0.38) | ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL30042078 | 0.71 | NLRP3 (0.36) | ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL3688423 | 0.69 | ACHE (0.41) | — | |
| SCHEMBL16349507 | 0.67 | — | — | |
| SCHEMBL19070853 | 0.67 | CYP2A6 (0.42) | CYP2A6CYP2A13ALDH1A1TSHRNPC1 | |
| SCHEMBL8248301 | 0.67 | KMT2A (0.38) | ALDH1A1NPC1LMNAMAPT | |
| SCHEMBL31037 | 0.67 | CYP2A6 (0.39) | CYP2A6CYP2A13ALDH1A1TSHRMAPT | |
| SCHEMBL21891623 | 0.67 | CYP2A6 (0.39) | CYP2A6CYP2A13ALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4209492-A1 | COMPOUND FOR TREATING THROMBOTIC DISEASES | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2023-07-12 | — | — | EP | disclosed |