Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | S100B | P04271 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.33 |
| ▸ | CSF1R | P07333 | 2/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30871438 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL29212414 | 0.76 | ALDH1A1 (0.35) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL29212362 | 0.76 | CYP1A2 (0.34) | ALDH1A1CYP3A4L3MBTL1TSHRGAA | |
| SCHEMBL31104479 | 0.73 | PKM (0.41) | ALDH1A1CYP3A4L3MBTL1HSD17B10TDP1 | |
| SCHEMBL15938841 | 0.72 | NOS3 (0.39) | ALDH1A1CYP3A4TSHRTDP1MAPT | |
| SCHEMBL16234977 | 0.71 | PKM (0.43) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL22805065 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL1707878 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL29572726 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 | |
| SCHEMBL30399951 | 0.71 | ALDH1A1 (0.43) | ALDH1A1CYP3A4L3MBTL1TSHRHSD17B10 |
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-117813295-A | Compounds targeting p53 mutants | 北京加科思新药研发有限公司 | 2024-04-02 | — | — | CN | disclosed |