Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM6B | O15054 | 2/20 | 0.31 |
| ▸ | KDM4A | O75164 | 2/20 | 0.31 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.31 |
| ▸ | KDM3B | Q7LBC6 | 2/20 | 0.31 |
| ▸ | HIF1AN | Q9NWT6 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27407163 | 0.90 | HCAR2 (0.52) | HCAR2KDM4EFFAR2MEN1ALDH1A1 | |
| SCHEMBL22672512 | 0.88 | HCAR2 (0.41) | HCAR2KDM4EALDH1A1KDM6BKDM4A | |
| SCHEMBL25488041 | 0.82 | HCAR2 (0.44) | HCAR2ALDH1A1KDM6BKDM4AKDM4D | |
| SCHEMBL18948422 | 0.82 | HCAR2 (0.44) | HCAR2ALDH1A1KDM6BKDM4AKDM4D | |
| SCHEMBL9644114 | 0.79 | HCAR2 (0.50) | HCAR2KDM4EFFAR2ALDH1A1POLB | |
| SCHEMBL1421575 | 0.74 | HCAR2 (0.57) | HCAR2KDM4ESMN1; SMN2FFAR2MEN1 | |
| SCHEMBL19400985 | 0.73 | PSEN1 (0.32) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20794217 | 0.73 | PSEN1 (0.34) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL28774107 | 0.72 | HCAR2 (0.50) | HCAR2KDM4ESMN1; SMN2FFAR2MEN1 | |
| SCHEMBL13956134 | 0.71 | HCAR2 (0.53) | HCAR2KDM4ESMN1; SMN2FFAR2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |