Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2159914 | 0.82 | MEN1 (0.42) | NPC1RAB9AHDAC6HDAC3HDAC4 | |
| SCHEMBL15048619 | 0.82 | NPC1 (0.46) | NPC1RAB9AHDAC6HDAC3HDAC4 | |
| SCHEMBL3299499 | 0.79 | SMN1; SMN2 (0.46) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL15048487 | 0.79 | PDE10A (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL15048603 | 0.78 | PDE10A (0.45) | MAPKAPK2KDM4EBLMKDM4C | |
| SCHEMBL15048621 | 0.73 | PDE10A (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL15048605 | 0.67 | KLK3 (0.44) | MAPKAPK2ALDH1A1IKBKBKDM4EMEN1 | |
| SCHEMBL15048610 | 0.67 | PDE10A (0.44) | MAPKAPK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL15048620 | 0.66 | RAB9A (0.49) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| Alcohol SCHEMBL28791220 | 0.66 | AR (0.55) | NPC1RAB9AALDH1A1MAPTKDM4E |
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 |