Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871236 | 0.92 | MAPT (0.48) | ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL29967918 | 0.92 | MAPT (0.48) | ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL8328337 | 0.79 | ALDH1A1 (0.68) | ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL29968130 | 0.78 | POLB (0.44) | ALDH1A1 | |
| SCHEMBL28871299 | 0.78 | POLB (0.44) | ALDH1A1 | |
| SCHEMBL31546228 | 0.77 | POLB (0.46) | KDM4EHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27506026 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL28379367 | 0.76 | POLB (0.44) | LMNA | |
| SCHEMBL9754832 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4ECHEK1 | |
| SCHEMBL29968491 | 0.73 | GRIN1 (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10 |
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-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |