Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.62 |
| ▸ | HPGD | P15428 | 7/20 | 0.62 |
| ▸ | GLA | P06280 | 6/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 12/20 | 0.58 |
| ▸ | NPC1 | O15118 | 9/20 | 0.58 |
| ▸ | GAA | P10253 | 8/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.52 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10353295 | 0.93 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL25112861 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL13821073 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL10354057 | 0.84 | ALDH1A1 (0.68) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL13821046 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL13029579 | 0.82 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL25112805 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL973176 | 0.81 | RAB9A (0.57) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL971325 | 0.81 | GRM5 (0.45) | ALDH1A1KDM4EHPGDGLAHSD17B10 | |
| SCHEMBL971054 | 0.80 | RAB9A (0.56) | ALDH1A1KDM4EHPGDHSD17B10RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7867629-B2 | Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-01-11 | — | — | US | disclosed |