Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5402061 | 0.84 | SIGMAR1 (0.68) | CHRM2CHRM1CHRM3SIGMAR1DRD4 | |
| SCHEMBL6865672 | 0.79 | DRD4 (0.65) | CHRM2CHRM1CHRM3SIGMAR1DRD4 | |
| SCHEMBL4390012 | 0.79 | DRD4 (0.65) | CHRM2CHRM1CHRM3SIGMAR1DRD4 | |
| SCHEMBL1732446 | 0.75 | CYP2D6 (0.65) | CYP2D6ALDH1A1CYP3A4USP2SIGMAR1 | |
| SCHEMBL25095137 | 0.74 | CYP2D6 (0.56) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL20179582 | 0.74 | ACHE (0.61) | CYP2D6ALDH1A1CYP3A4USP2TSHR | |
| SCHEMBL26016859 | 0.74 | CYP2D6 (0.58) | CYP2D6ALDH1A1CYP3A4USP2SIGMAR1 | |
| SCHEMBL21579578 | 0.74 | CYP2D6 (0.51) | CYP2D6ALDH1A1CYP3A4USP2TSHR | |
| SCHEMBL5243003 | 0.73 | CYP2D6 (0.67) | CYP2D6ALDH1A1CYP3A4USP2SIGMAR1 | |
| SCHEMBL5567146 | 0.73 | NPFFR1 (0.48) | CYP2D6CHRM2CHRM3ALDH1A1CYP3A4 |
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-3541375-B1 | FACTOR XIIA INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-23 | — | — | EP | disclosed |
| WO-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |