Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5133609 | 0.80 | GAA (0.53) | PNPKDM4ECYP1A2CYP2C19LMNA | |
| SCHEMBL6944733 | 0.75 | CYP1A2 (0.46) | POLBALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL6947886 | 0.72 | ALOX5 (0.50) | ADORA2AADORA2BPOLBALDH1A1KDM4E | |
| SCHEMBL10442247 | 0.72 | NPC1 (0.40) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL3214229 | 0.72 | GAA (0.63) | POLBALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL6946824 | 0.71 | KIT (0.45) | — | |
| SCHEMBL4237789 | 0.71 | GRIN1 (0.46) | POLBALDH1A1CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL7339133 | 0.71 | PKM (0.46) | — | |
| SCHEMBL5062600 | 0.71 | DDAH1 (0.42) | ADORA2AHTT | |
| SCHEMBL4957459 | 0.71 | EGFR (0.31) | — |
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 |