Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL591540 | 0.84 | HDAC6 (0.33) | HDAC6HDAC1HDAC2HTR2CSLC6A4 | |
| SCHEMBL592321 | 0.84 | HDAC6 (0.33) | HDAC6HDAC1HDAC2HTR2CSLC6A4 | |
| SCHEMBL591539 | 0.84 | HDAC6 (0.33) | HDAC6HDAC1HDAC2HTR2CSLC6A4 | |
| SCHEMBL15564272 | 0.83 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL23997389 | 0.81 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL25625793 | 0.81 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL24139609 | 0.80 | CA12 (0.49) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL29433094 | 0.80 | HTR2C (0.34) | HDAC6HDAC1HDAC2HTR2CSLC6A4 | |
| SCHEMBL13490197 | 0.79 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL1447140 | 0.79 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CA14CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |