Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | ABL2 | P42684 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.47 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28349619 | 0.87 | MAPT (0.55) | ALDH1A1GAATHRBATMEGFR | |
| SCHEMBL28349407 | 0.86 | EGFR (0.52) | ALDH1A1GAATHRBATMEGFR | |
| SCHEMBL3890673 | 0.85 | MAPT (0.68) | ALDH1A1ATMLMNAKMT2AMEN1 | |
| SCHEMBL27755220 | 0.85 | MAPT (0.68) | ALDH1A1ATMLMNAKMT2AMEN1 | |
| SCHEMBL25190545 | 0.82 | MAOB (0.68) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL642189 | 0.82 | GAA (0.52) | ALDH1A1GAAAKR1C3AKR1C2THRB | |
| SCHEMBL13434627 | 0.82 | MAOB (0.68) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL25199779 | 0.82 | MAOB (0.68) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL642188 | 0.82 | GAA (0.52) | ALDH1A1GAAAKR1C3AKR1C2THRB | |
| SCHEMBL343796 | 0.80 | MEN1 (0.54) | ALDH1A1GAAAKR1C3AKR1C2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112691099-B | Application of organic compound in preparation of medicine for treating colon cancer | 青岛大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-112691099-A | Application of organic compound in preparation of medicine for treating colon cancer | 青岛大学 | 2021-04-23 | — | — | CN | disclosed |