Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA7 | P43166 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12786920 | 0.81 | PTPN1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14291473 | 0.74 | — | — | |
| SCHEMBL12326213 | 0.69 | LOXL2 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5972221 | 0.69 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10261177 | 0.66 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20747336 | 0.66 | CA12 (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20373494 | 0.66 | PTPN1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23950875 | 0.66 | PTPN1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17049264 | 0.65 | HDAC4 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10038319 | 0.63 | HSD17B10 (0.43) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3640242-A1 | ROCK-INHIBITING COMPOUND AND USES THEREOF | Hitgen Ltd. (CN) | 2020-04-22 | — | — | EP | disclosed |