Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7471503 | 0.87 | ALDH1A1 (0.51) | ALDH1A1TSHRHPGDHTTAR | |
| SCHEMBL3202573 | 0.82 | ALDH1A1 (0.72) | ALDH1A1TSHRHPGDHTTSIGMAR1 | |
| SCHEMBL336689 | 0.73 | CNR1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7191430 | 0.73 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDHTTSIGMAR1 | |
| SCHEMBL7172295 | 0.73 | MAOA (0.42) | — | |
| SCHEMBL249845 | 0.72 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDHTTSIGMAR1 | |
| SCHEMBL301933 | 0.72 | ALDH1A1 (0.69) | ALDH1A1TSHRHPGDHTTAR | |
| SCHEMBL28181536 | 0.72 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL11542858 | 0.72 | DAO (0.50) | — | |
| SCHEMBL13477030 | 0.71 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDHTTSIGMAR1 |
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-108821995-B | Chiral Schiff base ligand, metal compound, and preparation method and application thereof | 中国科学技术大学 | 2020-05-12 | — | — | CN | disclosed |