Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30380072 | 1.00 | KDM4E (0.49) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL21617379 | 0.82 | NPC1 (0.49) | KDM4EKMT2AMAPTPDE5ATSHR | |
| SCHEMBL21596365 | 0.80 | JAK3 (0.52) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL30379819 | 0.80 | JAK3 (0.52) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL21600939 | 0.78 | CYP1A2 (0.48) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL30379700 | 0.78 | CYP1A2 (0.48) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL16982690 | 0.76 | KDM4E (0.56) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL30379627 | 0.74 | CA12 (0.49) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL21600940 | 0.74 | CA12 (0.49) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL21600877 | 0.71 | MAPT (0.48) | ALDH1A1KMT2AGAAMAPTPOLB |
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-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |