Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3258306 | 0.88 | P2RX7 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9SLC6A2 | |
| SCHEMBL3255755 | 0.88 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3255401 | 0.87 | P2RX7 (0.39) | P2RX7GAARAB9AALDH1A1KCNH2 | |
| SCHEMBL3256042 | 0.86 | P2RX7 (0.39) | P2RX7GAARAB9AALDH1A1HPGD | |
| SCHEMBL3253786 | 0.86 | GAA (0.33) | P2RX7GAARAB9AALDH1A1MEN1 | |
| SCHEMBL3255018 | 0.84 | GAA (0.35) | GAARAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL3254166 | 0.84 | SMN1; SMN2 (0.39) | GAAALDH1A1MEN1KMT2A | |
| SCHEMBL3256647 | 0.84 | P2RX7 (0.34) | P2RX7GAARAB9A | |
| SCHEMBL3256757 | 0.82 | RPA1 (0.34) | GAANPC1RAB9AMAPK1 | |
| SCHEMBL3256107 | 0.81 | KMT2A (0.39) | NPC1RAB9AALDH1A1MEN1KMT2A |
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 |