Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7063800 | 0.77 | RAB9A (0.71) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL14038823 | 0.76 | TP53 (0.43) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL13263646 | 0.76 | NPC1 (0.53) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL13501410 | 0.76 | PDE10A (0.40) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL13146332 | 0.76 | PDE10A (0.56) | — | |
| SCHEMBL14039373 | 0.73 | TP53 (0.50) | KDM4EMAPTHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL7439845 | 0.73 | NPC1 (0.51) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL16770352 | 0.70 | ABCB1 (0.67) | RAB9AKDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL3299677 | 0.70 | TP53 (0.53) | NPC1RAB9AKDM4EMAPTHPGD | |
| SCHEMBL13501404 | 0.68 | PARP1 (0.48) | NPC1RAB9AKDM4EMAPTHPGD |
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-7662826-B2 | Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same | SHIONOGI & CO., LTD. (JP) | 2010-02-16 | — | — | US | disclosed |