Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17822333 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL30337358 | 0.83 | GAA (0.40) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL28987638 | 0.83 | GAA (0.40) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL30337199 | 0.82 | TEK (0.46) | ALDH1A1KMT2AHPGDCYP2C19HTT | |
| SCHEMBL17384806 | 0.82 | TEK (0.46) | ALDH1A1KMT2AHPGDCYP2C19HTT | |
| SCHEMBL19103283 | 0.81 | EGFR (0.41) | ALDH1A1MEN1KMT2AGPR3GLA | |
| SCHEMBL19103280 | 0.77 | KDM4E (0.47) | ALDH1A1KDM4EKMT2AHPGDHSD17B10 | |
| SCHEMBL31105657 | 0.77 | KDM4E (0.47) | ALDH1A1KDM4EKMT2AHPGDHSD17B10 | |
| SCHEMBL21165735 | 0.77 | KMT2A (0.40) | KDM4EKMT2AGAAHTTMAPT | |
| SCHEMBL22619772 | 0.76 | CHRM2 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-112457298-B | Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators | 贝达医药公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-112375067-B | Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators | 贝达医药公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-115974845-A | Preparation method of oxitinib intermediate | 奥锐特药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |