Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL5133609 | 0.86 | GAA (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL4237789 | 0.86 | GRIN1 (0.46) | POLBCYP3A4CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL6946824 | 0.83 | KIT (0.45) | TYMPEGFR | |
| SCHEMBL6945088 | 0.81 | CYP1A2 (0.48) | CYP1A2POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7339133 | 0.78 | PKM (0.46) | PKMEGFR | |
| SCHEMBL5062600 | 0.77 | DDAH1 (0.42) | GAAEGFR | |
| SCHEMBL13607799 | 0.77 | CDK5 (0.48) | CYP1A2POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6941740 | 0.75 | PNP (0.45) | CYP1A2POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9572852 | 0.74 | EGFR (0.31) | EGFR | |
| SCHEMBL4957459 | 0.74 | EGFR (0.31) | EGFR |
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 |