Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265005 | 0.84 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL13061850 | 0.83 | TSHR (0.49) | ALDH1A1TSHRLMNACA12CA1 | |
| SCHEMBL234030 | 0.82 | TSHR (0.60) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL961701 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL29571295 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL17022287 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL288615 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL31083917 | 0.79 | CA12 (0.70) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL2313707 | 0.79 | CA12 (0.70) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 | |
| SCHEMBL1187777 | 0.78 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3 |
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-108484541-A | A kind of synthetic method of 5- formylfurans -2- ethyl nitrobenzoates | 济南大学 | 2018-09-04 | — | — | CN | disclosed |