Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21688698 | 0.86 | KDM4E (0.64) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL21004926 | 0.83 | KDM4E (0.61) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL21688697 | 0.83 | KDM4E (0.61) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL22577081 | 0.83 | KDM4E (0.61) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL23534167 | 0.79 | KDM4E (0.56) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL23534978 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL21033491 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL4098270 | 0.77 | KDM4E (0.64) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL3497386 | 0.77 | GABRA2 (0.57) | KDM4EALDH1A1HPGDGABRA2GABRB2 | |
| SCHEMBL8942229 | 0.76 | KDM4E (0.53) | KDM4EALDH1A1HPGDGABRA2GABRB2 |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |