Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899823 | 0.79 | POLB (0.39) | PARP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL28192593 | 0.69 | POLB (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL27980296 | 0.68 | POLB (0.41) | PARP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1974301 | 0.68 | GABRA1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7542992 | 0.68 | CYP1A2 (0.43) | CYP1A2MEN1KMT2ACCNCCDK8 | |
| SCHEMBL28052515 | 0.67 | DHFR (0.36) | PARP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27983139 | 0.67 | NOS3 (0.42) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1650270 | 0.66 | CYP1A2 (0.42) | CYP1A2MEN1KMT2ACCNCCDK8 | |
| SCHEMBL2161703 | 0.66 | PARP1 (0.36) | PARP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29217222 | 0.66 | MEN1 (0.42) | CYP1A2MEN1KMT2ASMN1; SMN2KDM4E |
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-107411992-A | Make the method for keratin material decolouring using thiopyridone compound | 莱雅公司 | 2017-12-01 | — | — | CN | claimed |