Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1477578 | 1.00 | TSHR (0.50) | TSHRCYP1A2CYP2C19KDM4EKDM1A | |
| SCHEMBL1477389 | 1.00 | TSHR (0.50) | TSHRCYP1A2CYP2C19KDM4EKDM1A | |
| SCHEMBL22209851 | 1.00 | TSHR (0.50) | TSHRCYP1A2CYP2C19KDM4EKDM1A | |
| SCHEMBL12749371 | 1.00 | TSHR (0.50) | TSHRCYP1A2CYP2C19KDM4EKDM1A | |
| SCHEMBL23020647 | 0.86 | CYP1A2 (0.48) | TSHRCYP1A2CYP2C19KDM4EATM | |
| SCHEMBL12749374 | 0.86 | CYP1A2 (0.48) | TSHRCYP1A2CYP2C19KDM4EATM | |
| SCHEMBL1477579 | 0.86 | CYP1A2 (0.48) | TSHRCYP1A2CYP2C19KDM4EATM | |
| SCHEMBL13591320 | 0.86 | CYP1A2 (0.48) | TSHRCYP1A2CYP2C19KDM4EATM | |
| SCHEMBL4467918 | 0.86 | CYP1A2 (0.48) | TSHRCYP1A2CYP2C19KDM4EATM | |
| SCHEMBL12749381 | 0.83 | HPGD (0.49) | TSHRCYP1A2CYP2C19KDM4EATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4404935-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme LLC (US) | 2024-07-31 | — | — | EP | disclosed |
| WO-2023049060-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2023-03-30 | — | — | WO | disclosed |