Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | NNMT | P40261 | 1/20 | 0.47 |
| ▸ | GABRP | O00591 | 2/20 | 0.44 |
| ▸ | GABRD | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRE | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24195300 | 0.86 | TDP1 (0.62) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL21041142 | 0.85 | POLB (0.47) | TDP1POLBNNMTALDH1A1KDM4E | |
| SCHEMBL30527055 | 0.85 | POLB (0.47) | TDP1POLBNNMTALDH1A1KDM4E | |
| SCHEMBL30985306 | 0.83 | TDP1 (0.58) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL19284407 | 0.80 | POLB (0.54) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL17978138 | 0.79 | POLB (0.50) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL28245974 | 0.79 | F10 (0.44) | TDP1POLBGABRPGABRDGABRA1 | |
| SCHEMBL28045757 | 0.79 | TDP1 (0.66) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL25386466 | 0.79 | POLB (0.53) | TDP1POLBNNMTGABRPGABRD | |
| SCHEMBL28593925 | 0.77 | GABRP (0.41) | TDP1POLBGABRPGABRDGABRA1 |
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-109810041-A | Halogenated allyl amine SSAO/VAP-1 inhibitor and its application | 南京药捷安康生物科技有限公司 | 2019-05-28 | — | — | CN | disclosed |