Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2202389 | 0.98 | P2RX7 (0.53) | P2RX7HDAC6HDAC1HDAC4CYP2C9 | |
| SCHEMBL17707628 | 0.82 | HDAC6 (0.50) | HDAC6HDAC1HDAC4CYP2C9HDAC3 | |
| Trifluoroacetic Acid SCHEMBL2202754 | 0.81 | HDAC6 (0.47) | HDAC6HDAC1HDAC4CYP2C9HDAC3 | |
| SCHEMBL17707632 | 0.80 | HSP90AA1 (0.50) | P2RX7HDAC6HDAC1HDAC4CYP2C9 | |
| SCHEMBL2202787 | 0.79 | HDAC6 (0.53) | HDAC6HDAC1HDAC4CYP2C9HDAC3 | |
| Trifluoroacetic Acid SCHEMBL2201998 | 0.78 | HSP90AA1 (0.48) | P2RX7HDAC6HDAC1HDAC4CYP2C9 | |
| SCHEMBL27906099 | 0.74 | P2RX7 (0.66) | P2RX7HSP90AA1KDM4EALDH1A1PKM | |
| SCHEMBL2202394 | 0.74 | HDAC6 (0.43) | HDAC6HDAC1HDAC4CYP2C9HDAC3 | |
| SCHEMBL2200435 | 0.73 | HDAC6 (0.59) | HDAC6HDAC1HDAC4CYP2C9HDAC3 | |
| SCHEMBL24333207 | 0.73 | P2RX7 (0.64) | P2RX7HSP90AA1KDM4EALDH1A1PKM |
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-1926721-B1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-04 | — | — | EP | claimed |