Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28760409 | 0.83 | RAB9A (0.47) | NPC1RAB9AALDH1A1CYP1A2MAPT | |
| SCHEMBL23952005 | 0.82 | BAZ2B (0.49) | ALDH1A1CYP1A2LMNAGAAMEN1 | |
| SCHEMBL9197132 | 0.81 | BAZ2B (0.47) | ALDH1A1CYP1A2LMNAGAAMEN1 | |
| SCHEMBL19500071 | 0.79 | TTR (0.47) | ALDH1A1CYP1A2CYP2C19HSD17B10KDM4E | |
| SCHEMBL4566308 | 0.79 | BAZ2B (0.46) | ALDH1A1CYP1A2LMNAHTTGAA | |
| SCHEMBL4566309 | 0.79 | BAZ2B (0.46) | ALDH1A1CYP1A2LMNAHTTGAA | |
| SCHEMBL1003723 | 0.78 | BAZ2B (0.51) | ALDH1A1CYP1A2LMNAGAAMEN1 | |
| SCHEMBL7497472 | 0.77 | BAZ2B (0.50) | ALDH1A1CYP1A2LMNAGAAMEN1 | |
| SCHEMBL4140356 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNAHTTGAA | |
| (Z)-1,2-Diphenylethene SCHEMBL1604067 | 0.74 | TSHR (0.76) | NPC1RAB9APOLBALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1922149-A | Pyrrole and pyrazole daao inhibitors | SEPRACOR INC (US) | 2007-02-28 | — | — | CN | disclosed |