Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29190645 | 1.00 | CES1 (0.45) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL24327585 | 0.90 | CYP11B1 (0.38) | CES1RAB9AHPGDKMT2AMEN1 | |
| SCHEMBL14591325 | 0.83 | ALOX12 (0.56) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL19603146 | 0.80 | RAB9A (0.41) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL5915385 | 0.77 | KMT2A (0.52) | RAB9AALDH1A1KDM4EHPGDHTT | |
| SCHEMBL30833753 | 0.77 | KMT2A (0.54) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL29190601 | 0.77 | KMT2A (0.54) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL19608834 | 0.77 | NLRP3 (0.41) | CES1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL14591403 | 0.76 | HTR2C (0.50) | RAB9AALDH1A1KDM4EHPGDHTT | |
| SCHEMBL19601648 | 0.76 | RAB9A (0.38) | CES1RAB9AALDH1A1KDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117794914-A | Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient | 韩国化学研究院 | 2024-03-29 | — | — | CN | disclosed |