Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL15048614 | 0.81 | PDE10A (0.45) | PDE10AHTR2CF12KDM4EL3MBTL1 | |
| SCHEMBL15048623 | 0.80 | F12 (0.42) | PDE10AHTR2CF12KDM4EALDH1A1 | |
| SCHEMBL2160894 | 0.76 | KDM4E (0.45) | HTR2CF12KDM4EALDH1A1NPC1 | |
| SCHEMBL15048610 | 0.72 | PDE10A (0.44) | PDE10AF12KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL23202364 | 0.71 | PDE10A (0.39) | PDE10AF12KDM4EALDH1A1CYP2C19 | |
| SCHEMBL31096545 | 0.71 | KDM4E (0.42) | PDE10AF12KDM4EALDH1A1CYP2C19 | |
| SCHEMBL23202506 | 0.71 | KDM4E (0.42) | PDE10AF12KDM4EALDH1A1CYP2C19 | |
| SCHEMBL31096507 | 0.71 | PDE10A (0.39) | PDE10AF12KDM4EALDH1A1CYP2C19 | |
| SCHEMBL23479848 | 0.71 | PDE10A (0.41) | PDE10AF12KDM4ECYP2C19CYP2D6 | |
| SCHEMBL18040219 | 0.71 | NOS3 (0.34) | HTR2CKDM4ECYP2D6HTR2APOLB |
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 |