Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL10945859 | 0.83 | KDM4E (0.48) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL10813681 | 0.82 | KDM4E (0.74) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL10961565 | 0.80 | KDM4E (0.54) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL14585956 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL10813691 | 0.79 | KDM4E (0.58) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL10947254 | 0.79 | KDM4E (0.44) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL20286630 | 0.79 | KCNH2 (0.48) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL7257590 | 0.79 | KDM4E (0.54) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL28568727 | 0.79 | KDM4E (0.52) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL30564180 | 0.78 | KDM4E (0.57) | ALDH1A1KDM4ELMNAHPGDHSD17B10 |
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-112824401-B | Acrylic ketone derivative of N-acetyl gatifloxacin and preparation method and application thereof | 河南大学 | 2023-08-11 | — | — | CN | disclosed |