Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16564680 | 0.86 | — | — | |
| SCHEMBL14413861 | 0.83 | CYP2D6 (0.36) | USP2CYP2D6CYP2C9TSHRHSD17B10 | |
| SCHEMBL24734656 | 0.83 | NPSR1 (0.33) | EHMT2NPSR1 | |
| SCHEMBL23268386 | 0.81 | USP2 (0.35) | USP2CYP2D6CYP2C9TSHRHSD17B10 | |
| SCHEMBL10515290 | 0.78 | USP2 (0.37) | USP2 | |
| SCHEMBL24837487 | 0.76 | USP2 (0.33) | USP2NPSR1 | |
| SCHEMBL19698941 | 0.76 | — | — | |
| SCHEMBL12050018 | 0.75 | KMT2A (0.35) | USP2CYP2D6SLC22A1CHRM2ACHE | |
| SCHEMBL10514401 | 0.75 | USP2 (0.35) | USP2CYP2D6SLC22A1CHRM2ACHE | |
| SCHEMBL3605272 | 0.74 | USP2 (0.36) | USP2CYP2D6CYP2C9TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023097227-A1 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | MERCK SHARP & DOHME LLC (US) | 2023-06-01 | — | — | WO | disclosed |
| WO-2022250170-A9 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2023-01-05 | — | — | WO | disclosed |