Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 6/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048611 | 0.81 | PDE10A (0.40) | PDE10ATGFBR1ALDH1A1PARP1PARP2 | |
| SCHEMBL2159924 | 0.81 | PDE10A (0.41) | PDE10AALDH1A1 | |
| SCHEMBL15048603 | 0.79 | PDE10A (0.45) | PDE10ATGFBR1KDM4ETGFBR2 | |
| SCHEMBL15048564 | 0.79 | NPC1 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15048621 | 0.77 | PDE10A (0.43) | PDE10ATGFBR1HDAC3HDAC4HDAC1 | |
| SCHEMBL3299499 | 0.77 | SMN1; SMN2 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15048605 | 0.68 | KLK3 (0.44) | PDE10ATGFBR1ALDH1A1KDM4E | |
| SCHEMBL15048499 | 0.66 | GRN (0.46) | PDE10AALDH1A1KDM4E | |
| SCHEMBL15048612 | 0.65 | JAK2 (0.40) | PDE10AKDM4E | |
| SCHEMBL15048531 | 0.65 | ALDH1A1 (0.44) | PDE10ATGFBR1ALDH1A1KDM4ETGFBR2 |
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 |