Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.56 |
| ▸ | SYK | P43405 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | FOS | P01100 | 1/20 | 0.53 |
| ▸ | JUN | P05412 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4157935 | 1.00 | ALDH1A1 (0.57) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL5744856 | 0.94 | ALDH1A1 (0.55) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL5744853 | 0.94 | ALDH1A1 (0.55) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL4405587 | 0.92 | ALDH1A1 (0.63) | ALDH1A1SYKMAPTLMNASMN1; SMN2 | |
| SCHEMBL30498501 | 0.90 | ALDH1A1 (0.60) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL22860692 | 0.90 | ALDH1A1 (0.60) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL574167 | 0.90 | ALDH1A1 (0.60) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL5266863 | 0.89 | ALDH1A1 (0.61) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL4715162 | 0.89 | ALDH1A1 (0.61) | ALDH1A1PDE4BSYKMAPTLMNA | |
| SCHEMBL22860492 | 0.88 | ALDH1A1 (0.58) | ALDH1A1SYKMAPTLMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118027034-A | Purine derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-114315834-B | Imidazolone derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-114315834-A | Imidazolidinone derivatives and their use in medicaments | 成都百裕制药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |