Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208561 | 0.82 | ESR1 (0.50) | CHRNB2CHRNA4HTR2AHTR2CHTR6 | |
| SCHEMBL8210789 | 0.80 | MAPK14 (0.48) | KDM4ECHRNB2CHRNA4MAPTHTR2A | |
| SCHEMBL8210793 | 0.80 | MAPK14 (0.48) | KDM4ECHRNB2CHRNA4MAPTHTR2A | |
| SCHEMBL8220259 | 0.73 | HTR2A (0.44) | CHRNB2CHRNA4LMNAHTR2AHTR2C | |
| SCHEMBL8220256 | 0.73 | HTR2A (0.44) | CHRNB2CHRNA4LMNAHTR2AHTR2C | |
| SCHEMBL8217093 | 0.73 | HTR2A (0.43) | DRD2HTR2AHTR2C | |
| SCHEMBL8217090 | 0.73 | HTR2A (0.43) | DRD2HTR2AHTR2C | |
| SCHEMBL8210776 | 0.72 | MAPK13 (0.41) | CHRNB2CHRNA4ALDH1A1HTR2AHTR2C | |
| SCHEMBL8210778 | 0.72 | MAPK13 (0.41) | CHRNB2CHRNA4ALDH1A1HTR2AHTR2C | |
| SCHEMBL8218914 | 0.68 | CHRNB2 (0.33) | CHRNB2CHRNA4HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000004017-A1 | AZABICYCLE-SUBSTITUTED PHENYLINDOLE DERIVATIVES AS LIGANDS FOR 5-HT2A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-01-27 | — | — | WO | claimed |
| WO-2000004017-A1 | AZABICYCLE-SUBSTITUTED PHENYLINDOLE DERIVATIVES AS LIGANDS FOR 5-HT2A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-01-27 | — | — | WO | disclosed |