Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11032485 | 0.94 | KIF11 (0.46) | CYP19A1CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL1338710 | 0.81 | AKR1C2 (0.42) | ALDH1A1CYP11B1CYP11B2TSHRL3MBTL1 | |
| SCHEMBL7385564 | 0.80 | CYP2A6 (0.46) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL2266164 | 0.80 | CYP2A6 (0.46) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL27480613 | 0.79 | CYP2A6 (0.41) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL19122181 | 0.78 | HDAC8 (0.37) | CA12CA2CA9CA14HDAC8 | |
| SCHEMBL5538506 | 0.78 | CYP2A6 (0.40) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL22824023 | 0.78 | CYP2A6 (0.45) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL6077332 | 0.77 | CYP2A6 (0.43) | CYP19A1CYP2A6ALDH1A1HTTCA12 | |
| SCHEMBL6205272 | 0.77 | CYP2A6 (0.43) | CYP19A1CYP2A6ALDH1A1HTTCA12 |
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-109310668-B | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2023-01-24 | — | — | CN | disclosed |