Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.68 |
| ▸ | TSHR | P16473 | 9/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.68 |
| ▸ | USP2 | O75604 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL24798927 | 1.00 | CYP2D6 (0.68) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL1732446 | 0.91 | CYP2D6 (0.65) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL2086761 | 0.89 | TSHR (0.70) | CYP2D6TSHRCYP3A4USP2ALDH1A1 | |
| SCHEMBL5243003 | 0.89 | CYP2D6 (0.67) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL31230966 | 0.87 | CYP2D6 (0.59) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL3464617 | 0.85 | CYP2D6 (0.61) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL19320647 | 0.85 | MC4R (0.61) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL4589959 | 0.83 | CYP2D6 (0.83) | CYP2D6TSHRCYP3A4USP2ALDH1A1 | |
| SCHEMBL484644 | 0.82 | SIGMAR1 (0.56) | CYP2D6TSHRCYP3A4USP2CYP1A2 | |
| SCHEMBL15284994 | 0.82 | CYP2D6 (0.56) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C9 |
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 |
| EP-3541381-B1 | INHIBITORS OF FACTOR XIIA | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |