Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA7 | P43166 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | SCN1A | P35498 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL991375 | 0.84 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13349893 | 0.83 | KDM4E (0.60) | NPC1RAB9ALTA4HSMN1; SMN2ALDH1A1 | |
| SCHEMBL19126668 | 0.82 | NPC1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6180246 | 0.82 | NPC1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14577989 | 0.82 | NPC1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5214906 | 0.80 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1958165 | 0.80 | NPC1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14084486 | 0.80 | NPC1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2014076 | 0.80 | NPC1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19560190 | 0.80 | LTA4H (0.67) | CA12CA1CA2CA7CA9 |
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-2023220541-A1 | TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2023-11-16 | — | — | WO | disclosed |
| EP-3061752-B1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS | XCOVERY HOLDING CO LLC (US) | 2018-02-21 | — | — | EP | disclosed |