Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1048904 | 0.76 | CYP2D6 (0.48) | CYP2A6CYP1A2ACHEMEN1KMT2A | |
| SCHEMBL443528 | 0.75 | CYP2A6 (0.80) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL7452675 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL29367032 | 0.75 | CYP2A6 (0.80) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL6891918 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL7451812 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL29919511 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL2249185 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL7456084 | 0.75 | CYP1A2 (0.71) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL12809771 | 0.75 | ACHE (0.55) | CYP2A6CYP1A2RAD52ACHEHSD17B1 |
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-4240362-A1 | DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 | Merck Sharp & Dohme LLC (US) | 2023-09-13 | — | — | EP | disclosed |
| WO-2022098809-A1 | DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 | MERCK SHARP & DOHME CORP. (US) | 2022-05-12 | — | — | WO | disclosed |