Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29305268 | 1.00 | CYP1A2 (0.41) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL30036762 | 0.87 | CYP1A2 (0.39) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL29305269 | 0.87 | CYP1A2 (0.39) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL29305118 | 0.84 | CYP1A2 (0.45) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL29305119 | 0.83 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL30037435 | 0.83 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL27159176 | 0.83 | GRM5 (0.40) | GRM5PIK3CDRIPK1 | |
| SCHEMBL29305266 | 0.83 | CYP1A2 (0.39) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL30036317 | 0.83 | CYP1A2 (0.39) | CYP1A2POLBCYP3A4CYP2C19GRM5 | |
| SCHEMBL29305115 | 0.80 | CYP1A2 (0.45) | CYP1A2POLBCYP3A4CYP2C19GRM5 |
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-4329766-A1 | RIPK1 INHIBITORS AND METHODS OF USE | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022231928-A1 | RIPK1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2022-11-03 | — | — | WO | disclosed |