Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 7/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 7/20 | 0.39 |
| ▸ | HTR7 | P34969 | 7/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | LDLR | P01130 | 1/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7071995 | 0.78 | KDM4E (0.37) | PCSK9 | |
| SCHEMBL7072308 | 0.67 | IMPDH2 (0.40) | IDO1PRMT5WDR77 | |
| SCHEMBL5779888 | 0.65 | IDO1 (0.50) | HTR6HTR2AHTR1AHTR7CYP3A4 | |
| SCHEMBL16785552 | 0.63 | IDO1 (0.43) | HTR6HTR2AHTR1AHTR7DRD2 | |
| SCHEMBL3269209 | 0.63 | HPGDS (0.38) | HTR6HTR2AHTR1AHTR7DRD2 | |
| SCHEMBL6942143 | 0.63 | CYP2A6 (0.37) | CYP3A4CYP2D6 | |
| SCHEMBL7070801 | 0.62 | ADORA2A (0.44) | PDPK1 | |
| SCHEMBL14221613 | 0.60 | GBA1 (0.52) | CYP3A4CYP2D6HPGDSIDO1LDLR | |
| SCHEMBL8258054 | 0.59 | HTR6 (0.40) | HTR6HTR2AHTR1AHTR7DRD2 | |
| SCHEMBL30834347 | 0.59 | PDPK1 (0.43) | HTR6HTR2AHTR1AHTR7DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |