Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8078377 | 0.87 | DRD2 (0.46) | DRD2CYP11B1CYP11B2CTSLCTSS | |
| SCHEMBL7677565 | 0.86 | CYP1A2 (0.48) | DRD2HTR2AHTR2CHTR2BCYP11B1 | |
| SCHEMBL7674588 | 0.81 | HTR2A (0.56) | DRD2HTR2AHTR2CHTR2BNOTUM | |
| SCHEMBL7674593 | 0.81 | HTR2A (0.56) | DRD2HTR2AHTR2CHTR2BNOTUM | |
| SCHEMBL5212016 | 0.80 | DRD2 (0.47) | DRD2CYP11B1CYP11B2 | |
| SCHEMBL31129885 | 0.79 | CYP11B1 (0.47) | DRD2CYP11B1CYP11B2 | |
| SCHEMBL5212333 | 0.77 | DRD2 (0.49) | DRD2MAPT | |
| SCHEMBL18688203 | 0.77 | DRD2 (0.56) | DRD2CYP11B1CYP11B2HDAC1HDAC6 | |
| SCHEMBL21281416 | 0.74 | MTNR1A (0.46) | DRD2CYP11B1CYP11B2 | |
| SCHEMBL15690446 | 0.74 | DRD2 (0.48) | DRD2CYP11B1CYP11B2 |
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 |