Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21473410 | 0.80 | ERBB2 (0.58) | EGFRERBB2SRCKDR | |
| SCHEMBL21462181 | 0.80 | ERBB2 (0.58) | EGFRERBB2SRCKDR | |
| SCHEMBL21462165 | 0.80 | ERBB2 (0.58) | EGFRERBB2SRCKDR | |
| SCHEMBL30777161 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL29904972 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL20695020 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL20695016 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL20695031 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL29786138 | 0.78 | EGFR (0.63) | EGFRERBB2EPHA2KDREPHB4 | |
| SCHEMBL29817923 | 0.76 | EZH2 (0.42) | EGFRERBB2POLBEZH2MAPT |
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-2024016783-A1 | 6-SUBSTITUTED CHIRALLY PURE DIFLUOROPIPERIDINE QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR | 威尚（上海）生物医药有限公司 | 2024-01-25 | — | — | WO | disclosed |