Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.69 |
| ▸ | MMP9 | P14780 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | TYR | P14679 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4575810 | 1.00 | HDAC6 (0.69) | HDAC6HDAC3MMP9CA12CA1 | |
| SCHEMBL11084168 | 0.84 | CA12 (0.65) | HDAC6HDAC3MMP9CA12CA1 | |
| SCHEMBL11084164 | 0.84 | CA12 (0.65) | HDAC6HDAC3MMP9CA12CA1 | |
| SCHEMBL1410815 | 0.83 | CA12 (0.68) | HDAC6HDAC3CA12CA1CA2 | |
| SCHEMBL7911789 | 0.83 | CA12 (0.68) | HDAC6HDAC3CA12CA1CA2 | |
| SCHEMBL71224 | 0.82 | CA12 (0.84) | HDAC6HDAC3CA12CA1CA2 | |
| SCHEMBL5057418 | 0.82 | CA12 (0.84) | HDAC6HDAC3CA12CA1CA2 | |
| SCHEMBL12150981 | 0.82 | HDAC6 (1.00) | HDAC6HDAC3MMP9HDAC1HDAC4 | |
| SCHEMBL4575024 | 0.81 | HDAC6 (0.71) | HDAC6HDAC3MMP9CA12CA1 | |
| SCHEMBL4575021 | 0.81 | HDAC6 (0.71) | HDAC6HDAC3MMP9CA12CA1 |
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-2008039087-A2 | INDOLINE DERIVATIVES AND USES THEREOF | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-04-03 | — | — | WO | disclosed |