Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.56 |
| ▸ | HTR2C | P28335 | 4/20 | 0.56 |
| ▸ | HTR2B | P41595 | 4/20 | 0.56 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674593 | 1.00 | HTR2A (0.56) | HTR2AHTR2CHTR2BNOTUMHDAC1 | |
| SCHEMBL7677151 | 0.88 | HDAC1 (0.43) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL7677157 | 0.88 | HDAC1 (0.43) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL7673597 | 0.87 | HTR2A (0.56) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL7673592 | 0.87 | HTR2A (0.56) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL7677943 | 0.84 | CTSK (0.45) | HDAC1HDAC6CTSLALDH1A1SCN9A | |
| SCHEMBL7677937 | 0.84 | CTSK (0.45) | HDAC1HDAC6CTSLALDH1A1SCN9A | |
| SCHEMBL1435950 | 0.82 | LMNA (0.40) | HDAC1HDAC6CTSLALDH1A1SCN9A | |
| SCHEMBL7677907 | 0.81 | CTSS (0.42) | CTSLALDH1A1LMNACTSKACACB | |
| SCHEMBL7677911 | 0.81 | CTSS (0.42) | CTSLALDH1A1LMNACTSKACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380238-B1 | FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA | VERNALIS RESEARCH LIMITED (GB) | 2002-04-30 | — | — | US | disclosed |
| EP-1109784-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012475-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |