Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401459 | 0.88 | DGAT1 (0.34) | KLKB1DGAT1NPC1MAPTCYP11B1 | |
| SCHEMBL23421629 | 0.87 | NPC1 (0.40) | KLKB1DGAT1NPC1MAPTCYP11B1 | |
| SCHEMBL19924689 | 0.86 | CYP11B1 (0.47) | KLKB1DGAT1NPC1MAPTCYP11B1 | |
| SCHEMBL16397034 | 0.83 | CYP11B2 (0.43) | ALDH1A1DGAT1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL31377235 | 0.80 | DGAT1 (0.36) | KLKB1DGAT1NPC1MAPTCYP11B1 | |
| SCHEMBL31558494 | 0.79 | ALDH1A1 (0.39) | KLKB1ALDH1A1DGAT1NPC1CYP11B1 | |
| SCHEMBL8543053 | 0.78 | NPC1 (0.36) | ALDH1A1DGAT1NPC1MAPT | |
| SCHEMBL12984274 | 0.77 | KLKB1 (0.41) | KLKB1ALDH1A1DGAT1NPC1MAPT | |
| SCHEMBL1858220 | 0.76 | DGAT1 (0.40) | DGAT1CYP11B1CYP11B2CYP3A4CYP2C9 | |
| SCHEMBL14858057 | 0.76 | MEN1 (0.35) | KLKB1DGAT1NPC1MAPTCYP11B1 |
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-115403558-A | Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof | 河南真实生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |