Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255382 | 0.88 | CYP1A2 (0.37) | P2RX7CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3248922 | 0.87 | P2RX7 (0.38) | P2RX7CYP1A2CYP2C19TRPV1GAA | |
| SCHEMBL3257098 | 0.85 | TAAR1 (0.39) | — | |
| SCHEMBL3255825 | 0.84 | PDPK1 (0.36) | GAAALDH1A1 | |
| SCHEMBL3258561 | 0.84 | PDPK1 (0.39) | TRPV1PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL3258394 | 0.81 | P2RX7 (0.42) | P2RX7TRPV1ALDH1A1HPGDPLAAT3 | |
| SCHEMBL3258744 | 0.81 | P2RX7 (0.38) | P2RX7SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3253833 | 0.80 | CES1 (0.41) | P2RX7SLC6A3RAB9AHDAC1HDAC6 | |
| SCHEMBL3258633 | 0.80 | PDPK1 (0.41) | CYP3A4FFAR4PLAAT3PLAAT5PLAAT2 | |
| SCHEMBL3254386 | 0.79 | CES1 (0.43) | P2RX7SLC6A3TRPV1RAB9AHDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651613-B1 | 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS | AVENTIS PHARMA INC (US) | 2010-05-26 | — | — | EP | disclosed |