Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3254884 | 0.89 | SIGMAR1 (0.35) | ALDH1A1TP53DRD2 | |
| SCHEMBL3255382 | 0.88 | CYP1A2 (0.37) | ALDH1A1P2RX7MEN1KMT2AHSD11B1 | |
| SCHEMBL3255278 | 0.87 | SIGMAR1 (0.35) | P2RX7MEN1KMT2AMAPTTP53 | |
| SCHEMBL3256637 | 0.85 | TACR1 (0.35) | ALDH1A1P2RX7MEN1KMT2ATP53 | |
| SCHEMBL3254057 | 0.83 | TP53 (0.42) | L3MBTL1P2RX7MEN1KMT2AMAPT | |
| SCHEMBL3255000 | 0.82 | P2RX7 (0.43) | ALDH1A1P2RX7TP53 | |
| SCHEMBL3255401 | 0.82 | P2RX7 (0.39) | ALDH1A1P2RX7MEN1KMT2ATP53 | |
| SCHEMBL3256757 | 0.82 | RPA1 (0.34) | MAPK1 | |
| SCHEMBL3258335 | 0.82 | ALDH1A1 (0.38) | ALDH1A1P2RX7MAPTCYP3A4CYP2C9 | |
| SCHEMBL3255018 | 0.80 | GAA (0.35) | ALDH1A1MEN1KMT2ATP53SMN1; SMN2 |
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 |