Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | MC3R | P41968 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL2360596 | 0.80 | FDPS (0.41) | TSHRCYP2C19SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL28833686 | 0.77 | ALDH1A1 (0.43) | TSHRCYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27938701 | 0.76 | ALDH1A1 (0.35) | CYP2C19ALDH1A1ATML3MBTL1MAPT | |
| SCHEMBL157088 | 0.74 | — | — | |
| SCHEMBL462094 | 0.74 | — | — | |
| SCHEMBL14167174 | 0.69 | FDPS (0.46) | TSHRCYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Carbamic Acid SCHEMBL9205535 | 0.64 | FDPS (0.43) | TSHRCYP3A4ALDH1A1FDPSMAPT | |
| SCHEMBL474771 | 0.63 | — | — | |
| SCHEMBL28649503 | 0.63 | — | — | |
| SCHEMBL247632 | 0.62 | — | — |
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-104663674-B | Fungicide compound and mixture | 杜邦公司 | 2017-11-03 | — | — | CN | disclosed |