Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3256724 | 0.93 | P2RX7 (0.39) | P2RX7ALDH1A1CYP2C19PKMLMNA | |
| SCHEMBL3257729 | 0.91 | ALDH1A1 (0.40) | P2RX7ALDH1A1CYP2C19PKMLMNA | |
| SCHEMBL3258350 | 0.91 | SLC6A2 (0.39) | CACNA1BALOX5 | |
| SCHEMBL3259233 | 0.88 | P2RX7 (0.41) | P2RX7ALDH1A1PKMLMNA | |
| SCHEMBL3248358 | 0.88 | ALDH1A1 (0.38) | P2RX7ALDH1A1CYP2C19PKMLMNA | |
| SCHEMBL3256527 | 0.86 | ATM (0.45) | ALDH1A1CYP2C19PKMLMNA | |
| SCHEMBL3253969 | 0.86 | CYP2C19 (0.41) | ALDH1A1CYP2C19 | |
| SCHEMBL3251176 | 0.85 | ALDH1A1 (0.35) | P2RX7ALDH1A1CYP2C19LMNA | |
| SCHEMBL3253025 | 0.85 | PAX8 (0.39) | ALDH1A1CYP2C19PKMOPRM1 | |
| SCHEMBL3252989 | 0.85 | MTOR (0.40) | ALDH1A1CYP2C19PKM |
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 |