Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL248097 | 0.80 | NPC1 (0.41) | HRH1KDM4ENPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL19331509 | 0.74 | NPC1 (0.40) | ADORA1ADORA2AHRH1KDM4ENPC1 | |
| SCHEMBL248608 | 0.74 | KDM4E (0.40) | ADORA1ADORA2AKRASKDM4ENPC1 | |
| SCHEMBL15320225 | 0.73 | PIK3CD (0.43) | HRH1KDM4ENPC1ALDH1A1GAA | |
| SCHEMBL16585320 | 0.73 | PIK3CD (0.47) | ADORA1ADORA2AHRH1KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL17241313 | 0.72 | PIK3CD (0.43) | HRH1KDM4ENPC1ALDH1A1GAA | |
| SCHEMBL27928181 | 0.70 | HRH1 (0.48) | HRH1KDM4ENPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7736839 | 0.69 | KDM4E (0.54) | ADORA1ADORA2AKRASKDM4ENPC1 | |
| SCHEMBL4434943 | 0.69 | NPC1 (0.41) | ADORA1ADORA2AKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL7044148 | 0.66 | HRH1 (0.50) | HRH1KDM4ENPC1ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588468-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | Amgen Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003262-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | AMGEN INC. (US) | 2012-01-05 | — | — | WO | disclosed |