Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1797934 | 0.73 | PTGIR (0.57) | CXCR4PTGIRADRA2AKMT2AKDM1A | |
| SCHEMBL23510480 | 0.73 | PTGIR (0.57) | CXCR4PTGIRADRA2AKMT2AKDM1A | |
| SCHEMBL18464422 | 0.71 | SMN1; SMN2 (0.39) | CXCR4SMN1; SMN2KMT2AKDM1AGAA | |
| SCHEMBL14543949 | 0.66 | SMN1; SMN2 (0.35) | SMN1; SMN2KMT2AGAAMAPTTAS2R38 | |
| SCHEMBL8392583 | 0.62 | TAS2R38 (0.52) | SMN1; SMN2KMT2AGAAMAPTTAS2R38 | |
| SCHEMBL967633 | 0.62 | NAPRT (0.52) | SMN1; SMN2KMT2AGAAMAPTHSD17B10 | |
| SCHEMBL13596605 | 0.61 | NOX1 (0.58) | SMN1; SMN2KMT2AGAAMAPTHSD17B10 | |
| Formamide SCHEMBL28225507 | 0.61 | LMNA (0.55) | ADRA2AMAPTALDH1A1TSHRLMNA | |
| SCHEMBL22450074 | 0.61 | MAPT (0.48) | SMN1; SMN2KMT2AGAAMAPTTAS2R38 | |
| SCHEMBL725250 | 0.60 | TGM2 (0.65) | SMN1; SMN2GAAMAPTHSD17B10TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020215998-A1 | PYRIMIDO FIVE-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS MUTANT IDH2 INHIBITOR | 上海仕谱生物科技有限公司 | 2020-10-29 | — | — | WO | disclosed |