Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674627 | 1.00 | HTR2C (0.43) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8904901 | 0.87 | HTR2C (0.56) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7677108 | 0.86 | HTR2C (0.42) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7677110 | 0.86 | HTR2C (0.42) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7679840 | 0.79 | KMO (0.46) | HTR2CHTR2ATRPA1KDM4EALDH1A1 | |
| SCHEMBL7679844 | 0.79 | KMO (0.46) | HTR2CHTR2ATRPA1KDM4EALDH1A1 | |
| SCHEMBL1435785 | 0.77 | NPY5R (0.42) | HTR2CAAK1TRPA1KDM4EALDH1A1 | |
| SCHEMBL1435781 | 0.77 | NPY5R (0.42) | HTR2CAAK1TRPA1KDM4EALDH1A1 | |
| SCHEMBL24110581 | 0.76 | HCRTR2 (0.37) | HTR2CAAK1TRPA1HSP90AA1HSP90AB1 | |
| SCHEMBL30404403 | 0.76 | HCRTR2 (0.37) | HTR2CAAK1TRPA1HSP90AA1HSP90AB1 |
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 |