Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GPX4 | P36969 | 1/20 | 0.31 |
| ▸ | YAP1 | P46937 | 1/20 | 0.30 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16083080 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL5100930 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL22423472 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL18956020 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL22146503 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL20547329 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL27012291 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL18711508 | 0.72 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2KDM4EUSP2CYP3A4 | |
| SCHEMBL30074979 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2POLBLMNA | |
| SCHEMBL1347525 | 0.72 | DPP4 (0.41) | ALDH1A1HTTSMN1; SMN2POLBLMNA |
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-113493453-B | Condensed aromatic ring derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |