Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.36 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.36 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25488041 | 1.00 | HCAR2 (0.44) | HCAR2GPR84FFAR1GPR35MAPT | |
| SCHEMBL22672512 | 0.94 | HCAR2 (0.41) | HCAR2GPR84FFAR1GPR35MAPT | |
| SCHEMBL19003615 | 0.82 | HCAR2 (0.46) | HCAR2KDM6BKDM4AKDM4DKDM3B | |
| SCHEMBL20756396 | 0.75 | NOS1 (0.33) | — | |
| SCHEMBL21199637 | 0.74 | HCAR2 (0.47) | HCAR2GPR35RARBALDH1A1 | |
| SCHEMBL11679054 | 0.74 | HCAR2 (0.47) | HCAR2GPR35RARBALDH1A1 | |
| SCHEMBL10441573 | 0.74 | HCAR2 (0.47) | HCAR2GPR35RARBALDH1A1 | |
| SCHEMBL24959066 | 0.73 | MLYCD (0.34) | — | |
| SCHEMBL22758625 | 0.73 | SLC2A1 (0.31) | — | |
| SCHEMBL1421575 | 0.72 | HCAR2 (0.57) | HCAR2MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |