Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | DDO | Q99489 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2619123 | 1.00 | DAO (0.50) | DAODDOCA12CA9ALDH1A1 | |
| SCHEMBL2619120 | 0.85 | CA12 (0.55) | DAOCA12CA9ALDH1A1KDM4E | |
| SCHEMBL30774289 | 0.78 | DAO (0.50) | DAODDOKDM4EPDE3BPDE3A | |
| SCHEMBL2507129 | 0.78 | NOS1 (0.52) | DAOALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL8016146 | 0.78 | MAPT (0.52) | ALDH1A1KDM4EKMT2AHIF1AMEN1 | |
| SCHEMBL8622233 | 0.78 | DAO (0.50) | DAODDOKDM4EPDE3BPDE3A | |
| SCHEMBL1785835 | 0.78 | CA2 (0.45) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL27885715 | 0.78 | METAP2 (0.52) | ALDH1A1ITKNOS1TP53 | |
| SCHEMBL2611059 | 0.77 | EIF4A3 (0.50) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL13153055 | 0.77 | DAO (0.54) | DAOALDH1A1KDM4EMAPTNOS3 |
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-117624063-A | Heterocyclic compound and application thereof | 中国科学院上海药物研究所 | 2024-03-01 | — | — | CN | disclosed |