Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL8527099 | 0.74 | RYR2 (0.35) | HTR5AHTR2AHTR2CHSD17B3TSHR | |
| SCHEMBL8860333 | 0.68 | HSD17B3 (0.47) | HSD17B3ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL17080822 | 0.67 | ADRA2A (0.37) | HTR1AHTR2AHTR2CCYP1A2TSHR | |
| SCHEMBL8526839 | 0.66 | HPGD (0.39) | HSD17B3 | |
| SCHEMBL8529435 | 0.66 | ALDH1A1 (0.42) | HSD17B3HDAC4HDAC8ADRA2AADRA2B | |
| SCHEMBL19939674 | 0.64 | HSD17B3 (0.43) | HSD17B3ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL20014743 | 0.64 | HSD17B3 (0.40) | HSD17B3TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL8527309 | 0.64 | HSD17B3 (0.40) | HSD17B3TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL11040025 | 0.63 | ADRA2A (0.33) | HTR5AHTR1AHTR1DHTR2AHTR2C | |
| SCHEMBL7555383 | 0.62 | PNMT (0.32) | HSD17B3 |
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 |