Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | KLK3 | P07288 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15048606 | 0.84 | ALDH1A1 (0.43) | PDE10AKLK3ATMLMNAKDM4E | |
| SCHEMBL2160007 | 0.81 | KLK3 (0.43) | PDE10AKLK3ATMLMNAKDM4E | |
| SCHEMBL15048543 | 0.81 | HTR2C (0.49) | F12KLK3ATMLMNAKDM4E | |
| SCHEMBL15048610 | 0.81 | PDE10A (0.44) | F12PDE10AKLK3KDM4ECYP1A2 | |
| SCHEMBL15048601 | 0.81 | KLK3 (0.46) | PDE10AKLK3ATMLMNAKDM4E | |
| SCHEMBL23479848 | 0.80 | PDE10A (0.41) | F12PDE10ALMNAKDM4ECCR1 | |
| SCHEMBL15048615 | 0.80 | PDE10A (0.42) | F12PDE10AATMLMNAKDM4E | |
| Hydrochloric Acid SCHEMBL31096519 | 0.79 | PDE10A (0.41) | F12PDE10ALMNAKDM4ECCR1 | |
| Hydrochloric Acid SCHEMBL23202622 | 0.79 | PDE10A (0.41) | F12PDE10ALMNAKDM4ECCR1 | |
| SCHEMBL2159961 | 0.79 | DRD2 (0.49) | F12PDE10AKLK3LMNAKDM4E |
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 |