Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | NSD2 | O96028 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25278066 | 0.87 | KDM4E (0.41) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL29190597 | 0.86 | KDM4E (0.61) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL14909597 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL15910725 | 0.79 | KDM4E (0.56) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL1489105 | 0.73 | KDM4E (1.00) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| Hydrochloric Acid SCHEMBL8100733 | 0.72 | KDM4E (0.96) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL2479701 | 0.70 | — | — | |
| SCHEMBL20359506 | 0.69 | MAPT (0.77) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL20359505 | 0.69 | MAPT (0.77) | ALDH1A1KDM4EMAPTNSD2MEN1 | |
| SCHEMBL15910805 | 0.69 | KDM4E (0.61) | ALDH1A1KDM4EMAPTNSD2MEN1 |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |