Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL3253025 | 0.93 | PAX8 (0.39) | ALDH1A1CYP2C19CCR5PKMATM | |
| SCHEMBL3257729 | 0.93 | ALDH1A1 (0.40) | ALDH1A1CYP2C19P2RX7PKMATM | |
| SCHEMBL3256724 | 0.92 | P2RX7 (0.39) | ALDH1A1CYP2C19P2RX7PKMLMNA | |
| SCHEMBL3253969 | 0.92 | CYP2C19 (0.41) | ALDH1A1CYP2C19L3MBTL1PAX8 | |
| SCHEMBL3258744 | 0.90 | P2RX7 (0.38) | ALDH1A1P2RX7LMNA | |
| SCHEMBL3259173 | 0.90 | ALDH1A1 (0.39) | ALDH1A1CYP2C19P2RX7PKMATM | |
| SCHEMBL3251176 | 0.89 | ALDH1A1 (0.35) | ALDH1A1CYP2C19P2RX7LMNAPAX8 | |
| SCHEMBL3252989 | 0.89 | MTOR (0.40) | ALDH1A1CYP2C19PKMPAX8 | |
| SCHEMBL3256527 | 0.88 | ATM (0.45) | ALDH1A1CYP2C19PKMATML3MBTL1 | |
| SCHEMBL3250310 | 0.88 | P2RX7 (0.40) | ALDH1A1CYP2C19P2RX7PKMLMNA |
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 |