Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | VSIR | Q9H7M9 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20170577 | 1.00 | HDAC8 (0.40) | HDAC8HDAC1HDAC2TGFBR1VSIR | |
| SCHEMBL20170533 | 1.00 | HDAC8 (0.40) | HDAC8HDAC1HDAC2TGFBR1VSIR | |
| SCHEMBL20170557 | 1.00 | HDAC8 (0.40) | HDAC8HDAC1HDAC2TGFBR1VSIR | |
| SCHEMBL20170543 | 0.85 | HDAC8 (0.42) | HDAC8HDAC1HDAC2TGFBR1VSIR | |
| SCHEMBL20170534 | 0.85 | HDAC8 (0.42) | HDAC8HDAC1HDAC2TGFBR1VSIR | |
| SCHEMBL20170520 | 0.83 | CD274 (0.50) | HDAC8HDAC1HDAC2VSIRCD274 | |
| SCHEMBL20170558 | 0.83 | CD274 (0.50) | HDAC8HDAC1HDAC2VSIRCD274 | |
| SCHEMBL20170525 | 0.79 | HDAC8 (0.38) | HDAC8HDAC1HDAC2VSIRCD274 | |
| SCHEMBL24058535 | 0.76 | VSIR (0.43) | TGFBR1VSIRCD274ALDH1A1LMNA | |
| SCHEMBL20057085 | 0.76 | VSIR (0.43) | TGFBR1VSIRCD274ALDH1A1LMNA |
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-3041828-B1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE DERIVATIVES AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECH LTD (IN) | 2018-05-23 | — | — | EP | disclosed |