Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30336247 | 0.85 | ATM (0.51) | CA1CA2RAB9ANPSR1MEN1 | |
| SCHEMBL4593652 | 0.80 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL6532996 | 0.79 | PEPD (0.42) | CA2PARP10KMT2A | |
| SCHEMBL4507705 | 0.79 | CA1 (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL5173278 | 0.78 | NPSR1 (0.49) | CA1CA2NPSR1AOC3ADRB3 | |
| SCHEMBL11646318 | 0.77 | ATM (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL2879729 | 0.77 | CNR2 (0.62) | CA1CA2MEN1KMT2ANPC1 | |
| SCHEMBL2879728 | 0.77 | CNR2 (0.62) | CA1CA2MEN1KMT2ANPC1 | |
| SCHEMBL13683338 | 0.77 | LMNA (0.51) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL1354444 | 0.77 | CA1 (0.53) | CA1CA2PARP10PARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575933-A1 | ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004054999-A1 | ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-01 | — | — | WO | disclosed |