Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.58 |
| ▸ | HTR2C | P28335 | 4/20 | 0.58 |
| ▸ | HTR2B | P41595 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL905898 | 0.90 | HTR2A (0.61) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL7840357 | 0.81 | ALDH1A1 (0.42) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7845930 | 0.80 | HTR2A (0.57) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL905757 | 0.79 | HTR2A (0.60) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL7679552 | 0.79 | LMNA (0.70) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL7843799 | 0.79 | HTR2A (0.46) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL7833297 | 0.78 | HTR2A (0.42) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL21577668 | 0.78 | CYP1A2 (0.47) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL28370234 | 0.77 | HTR2A (0.65) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL6216648 | 0.77 | ALDH1A1 (0.72) | HTR2ALMNAALDH1A1MEN1KMT2A |
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 |