Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539714 | 0.95 | ESR1 (0.52) | HRH3KDM4EKMT2AHPGDTSHR | |
| SCHEMBL30290475 | 0.88 | HRH3 (0.52) | HRH3KDM4EKMT2AF10ESR1 | |
| SCHEMBL5137232 | 0.88 | HRH3 (0.58) | HRH3KMT2AF10HPGDTSHR | |
| SCHEMBL21659498 | 0.84 | NR1H2 (0.62) | HRH3KDM4EKMT2AF10ESR1 | |
| SCHEMBL23701210 | 0.84 | HRH3 (0.49) | HRH3KMT2AF10ESR1ESR2 | |
| SCHEMBL27538580 | 0.83 | HRH3 (0.52) | HRH3KMT2AF10HPGDTSHR | |
| SCHEMBL14320109 | 0.81 | HRH3 (0.81) | HRH3 | |
| SCHEMBL21659712 | 0.80 | ESR2 (0.63) | HRH3KMT2AESR1ESR2MAPT | |
| SCHEMBL27197550 | 0.80 | HRH3 (0.64) | HRH3KDM4ESMN1; SMN2 | |
| SCHEMBL29097886 | 0.79 | HRH3 (0.53) | HRH3KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 百济神州有限公司 | 2021-03-09 | — | — | CN | disclosed |