Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 3/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.30 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2058088 | 0.78 | CA1 (0.63) | CA1CA12CA14CA2ALDH1A1 | |
| SCHEMBL17348037 | 0.76 | CA1 (0.44) | CA1CA12CA14CA2ALDH1A1 | |
| SCHEMBL15384961 | 0.74 | TRPV4 (0.36) | ALDH1A1TRPV4MMP1MMP2MMP3 | |
| SCHEMBL23980847 | 0.71 | FDPS (0.31) | TRPV4 | |
| SCHEMBL26374016 | 0.70 | — | — | |
| SCHEMBL10312297 | 0.70 | CA1 (0.52) | CA1CA12CA14CA2PER2 | |
| SCHEMBL13693145 | 0.69 | CA1 (0.57) | CA1CA12CA14CA2ALDH1A1 | |
| SCHEMBL22072479 | 0.69 | CA1 (0.38) | CA1CA12CA14CA2ALDH1A1 | |
| SCHEMBL24587252 | 0.69 | MAPT (0.32) | — | |
| SCHEMBL16261608 | 0.69 | CA1 (0.50) | CA1CA12CA14CA2PER2 |
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-2022234965-A1 | HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT | 주식회사 보로노이 | 2022-11-10 | — | — | WO | disclosed |