Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP2 | P42575 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21347989 | 0.92 | CA12 (0.47) | CA12CA4CA7CA9CA14 | |
| SCHEMBL22793508 | 0.91 | TTR (0.43) | CA12CA4CA7CA9CA14 | |
| SCHEMBL22793503 | 0.89 | CYP1A2 (0.43) | CA12CA4CA7CA9CA14 | |
| SCHEMBL9626308 | 0.87 | CA12 (0.44) | CA12CA4CA7CA9CA14 | |
| SCHEMBL25745 | 0.87 | CA12 (0.44) | CA12CA4CA7CA9CA14 | |
| SCHEMBL29355645 | 0.87 | CA12 (0.44) | CA12CA4CA7CA9CA14 | |
| SCHEMBL29358898 | 0.87 | CA12 (0.44) | CA12CA4CA7CA9CA14 | |
| SCHEMBL6128009 | 0.86 | CA12 (0.63) | CA12CA4CA7CA9CA14 | |
| SCHEMBL134374 | 0.85 | CA12 (0.47) | CA12CA4CA7CA9CA14 | |
| SCHEMBL4217123 | 0.85 | CYP1A2 (0.40) | CA12CA4CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019170710-A2 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND -PHOSPHONATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2019-09-12 | — | — | WO | disclosed |