Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | HEXA | P06865 | 1/20 | 0.36 |
| ▸ | HEXB | P07686 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6941905 | 0.85 | ALDH1A1 (0.50) | MPOTLR8TLR7HEXAHEXB | |
| SCHEMBL6946585 | 0.84 | MPO (0.40) | MPOHTR6SMN1; SMN2KDRCYP3A4 | |
| SCHEMBL6947940 | 0.84 | PIN1 (0.48) | PIN1MPOTLR8TLR7HEXA | |
| SCHEMBL6948619 | 0.79 | PNP (0.41) | MPOTLR7 | |
| SCHEMBL16146425 | 0.78 | APP (0.53) | PIN1MPOTLR8TLR7APP | |
| SCHEMBL15372394 | 0.78 | PIN1 (0.64) | PIN1MPOLMNACYP1A2CYP3A4 | |
| SCHEMBL6950768 | 0.78 | CYP17A1 (0.39) | MPOLTA4HEGFRKDRCYP3A4 | |
| SCHEMBL3305050 | 0.77 | PIN1 (0.48) | PIN1MPOSMN1; SMN2CYP1A2POLB | |
| SCHEMBL6944455 | 0.77 | HRH4 (0.44) | MPODHFRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12844134 | 0.77 | HEXA (0.37) | PIN1HEXAHEXBDHFRLMNA |
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 |