Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5758 | 0.92 | TSHR (0.55) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL3202679 | 0.89 | TSHR (0.52) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL12367606 | 0.84 | KIF11 (0.56) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL177404 | 0.84 | KIF11 (0.56) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL11608881 | 0.83 | MAPT (0.63) | TSHRLMNATYRALDH1A1MAPT | |
| Bromobenzene SCHEMBL9230161 | 0.82 | ALDH1A1 (0.55) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL8584931 | 0.82 | CYP2A6 (0.40) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL21340595 | 0.80 | KIF11 (0.46) | TSHRLMNATYRCYP2A6ALDH1A1 | |
| SCHEMBL1979907 | 0.78 | CYP1A2 (0.53) | TSHRLMNATYRALDH1A1MAPT | |
| SCHEMBL1979909 | 0.78 | CYP1A2 (0.53) | TSHRLMNATYRALDH1A1MAPT |
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-108140920-A | Magnesium air electrode for cell and magnesium air battery and aromatic compound and metal complex | 住友化学株式会社 | 2018-06-08 | — | — | CN | disclosed |