Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8529435 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HDAC8 | |
| SCHEMBL8528178 | 0.80 | EPHX2 (0.39) | ALDH1A1PARP1PARP10PARP11 | |
| SCHEMBL7555420 | 0.76 | PARP1 (0.30) | PARP1PARP10PARP11 | |
| SCHEMBL7555417 | 0.76 | PARP1 (0.30) | PARP1PARP10PARP11 | |
| SCHEMBL10904060 | 0.76 | — | — | |
| SCHEMBL8530034 | 0.72 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL7558350 | 0.69 | RYR2 (0.53) | ALDH1A1PARP1PARP10PARP11 | |
| Hydrochloric Acid SCHEMBL8527234 | 0.68 | RYR2 (0.51) | ALDH1A1PARP1PARP10PARP11 | |
| SCHEMBL14451090 | 0.65 | HPGD (0.36) | ALDH1A1PARP1PARP10PARP11 | |
| SCHEMBL20014517 | 0.62 | MEN1 (0.43) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667866-B1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | KNOLL AG (DE) | 1998-03-11 | — | — | EP | disclosed |
| US-5580866-A | Therapeutic 1,4-thiazepines | THE BOOTS COMPANY PLC (GB) | 1996-12-03 | — | — | US | disclosed |
| EP-0667866-A1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | Knoll AG (DE) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011360-A1 | 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS | THE BOOTS COMPANY PLC (GB) | 1994-05-26 | — | — | WO | disclosed |