Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.38 |
| ▸ | TUBB | P07437 | 3/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10910082 | 0.86 | PTGS2 (0.47) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL9719915 | 0.86 | CCR1 (0.48) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL29061980 | 0.86 | PTGS2 (0.47) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL8806761 | 0.78 | CCR1 (0.43) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL9491753 | 0.76 | KMT2A (0.39) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL9186240 | 0.75 | TUBB4A (0.53) | CCR1CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL8807301 | 0.75 | KDM4E (0.44) | CA9CCR1PDE4APDE4BPDE4C | |
| SCHEMBL7270880 | 0.74 | ACHE (0.45) | CA9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8805003 | 0.73 | CCR1 (0.55) | CCR1ACHEMAPTKDM4EALDH1A1 | |
| SCHEMBL27819448 | 0.73 | TUBB4A (0.47) | CA9PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |