Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048578 | 0.82 | HPGDS (0.46) | HPGDSPDE10AALDH1A1KDM4EHPGD | |
| SCHEMBL15048603 | 0.82 | PDE10A (0.45) | PDE10AKDM4EBAZ2BHIF1AL3MBTL1 | |
| SCHEMBL15048605 | 0.81 | KLK3 (0.44) | PDE10AALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL15048499 | 0.79 | GRN (0.46) | PDE10AALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL15048542 | 0.78 | KLK3 (0.46) | PDE10AALDH1A1KDM4EBAZ2BHIF1A | |
| SCHEMBL15048600 | 0.78 | KLK3 (0.47) | PDE10AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL15048610 | 0.78 | PDE10A (0.44) | PDE10AALDH1A1KDM4EKMT2AKDM5A | |
| SCHEMBL15048531 | 0.78 | ALDH1A1 (0.44) | PDE10AALDH1A1KDM4EKMT2AMAPT | |
| SCHEMBL23479933 | 0.77 | TSHR (0.50) | HPGDSPDE10AALDH1A1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL31096515 | 0.76 | TSHR (0.49) | HPGDSPDE10AALDH1A1KDM4EHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |