Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.51 |
| ▸ | TSHR | P16473 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL20179582 | 0.84 | ACHE (0.61) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL1732446 | 0.82 | CYP2D6 (0.65) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL26016859 | 0.81 | CYP2D6 (0.58) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL21579578 | 0.81 | CYP2D6 (0.51) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL5243003 | 0.80 | CYP2D6 (0.67) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL19320647 | 0.79 | MC4R (0.61) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL7952371 | 0.79 | ACHE (0.66) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20179576 | 0.78 | CYP2D6 (0.51) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL24798927 | 0.77 | CYP2D6 (0.68) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL24798656 | 0.77 | CYP2D6 (0.68) | CYP2D6TSHRCYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018093716-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |