Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 8/20 | 0.38 |
| ▸ | ITK | Q08881 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | GALR2 | O43603 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6528784 | 0.88 | GALR2 (0.37) | GALR2POLB | |
| SCHEMBL6528279 | 0.88 | GALR2 (0.38) | GALR2 | |
| SCHEMBL6528181 | 0.87 | TBK1 (0.35) | ALDH1A1HPGDMAPK1POLB | |
| SCHEMBL6529648 | 0.86 | PDPK1 (0.41) | EGFRMAPK1USP2TSHRPOLB | |
| SCHEMBL6528749 | 0.83 | MEN1 (0.37) | ALDH1A1HPGDMAPK1POLB | |
| SCHEMBL6531461 | 0.81 | EGFR (0.39) | EGFRALDH1A1HPGDPOLB | |
| SCHEMBL6530210 | 0.81 | NPC1 (0.45) | NPC1RAB9AEGFRITKSMN1; SMN2 | |
| SCHEMBL6533478 | 0.81 | ITK (0.36) | NPC1RAB9AEGFRITKSMN1; SMN2 | |
| SCHEMBL6529551 | 0.80 | CHRNA7 (0.35) | ALDH1A1MAPK1KDM4EPOLB | |
| SCHEMBL6530876 | 0.80 | MAPT (0.38) | RAB9AEGFRSMN1; SMN2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |