Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28746062 | 0.84 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL16511583 | 0.83 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL16511669 | 0.83 | PTPN1 (0.48) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL2116437 | 0.82 | PTGS2 (0.66) | ALDH1A1SMN1; SMN2PTGS2CYP2C9CYP2C19 | |
| SCHEMBL8167105 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL5802629 | 0.81 | PTGS2 (0.54) | ALDH1A1SMN1; SMN2PTGS2CYP2C9CYP2C19 | |
| SCHEMBL5830687 | 0.81 | ALOX15 (0.55) | ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15 | |
| SCHEMBL9652488 | 0.81 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2PTGS2CYP2C9CYP2C19 | |
| SCHEMBL9772797 | 0.81 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2PTGS2CYP2C9CYP2C19 | |
| SCHEMBL10119179 | 0.81 | PTGS2 (0.57) | ALDH1A1SMN1; SMN2PTGS2CYP2C9CYP2C19 |
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-116429930-A | Method for detecting diltiazem hydrochloride intermediate and related substances thereof | 武汉爱民制药股份有限公司 | 2023-07-14 | — | — | CN | disclosed |