Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL137377 | 0.82 | EGFR (0.60) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| SCHEMBL29409337 | 0.82 | EGFR (0.60) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL31066682 | 0.80 | EGFR (0.58) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL322987 | 0.80 | EGFR (0.58) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| Quinazoline SCHEMBL29937288 | 0.74 | EGFR (0.61) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| SCHEMBL88606 | 0.71 | EGFR (0.58) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| SCHEMBL29409356 | 0.71 | EGFR (0.58) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| SCHEMBL38663711 | 0.70 | CYP19A1 (0.37) | KDM4EHTTCSNK1DCSNK1ECLK1 | |
| Hydrochloric Acid SCHEMBL30749407 | 0.70 | EGFR (0.56) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL30749417 | 0.70 | EGFR (0.56) | EGFRPIK3CDPIK3CAKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134465-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2023056951-A1 | ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND | 杭州德睿智药科技有限公司 | 2023-04-13 | — | — | WO | disclosed |
| WO-2023001123-A1 | NEW PYRIDOPYRIMIDINE DERIVATIVE | 上海艾力斯医药科技股份有限公司 | 2023-01-26 | — | — | WO | disclosed |
| WO-2023274324-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-01-05 | — | — | WO | disclosed |
| WO-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |