Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PPID | Q08752 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5056110 | 1.00 | HTT (0.73) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| SCHEMBL5061098 | 1.00 | HTT (0.73) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| SCHEMBL5055850 | 0.86 | HTT (0.56) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| SCHEMBL3649406 | 0.86 | HTT (0.55) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| SCHEMBL3649405 | 0.86 | HTT (0.55) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL1886523 | 0.85 | HTT (0.54) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL1886525 | 0.85 | HTT (0.54) | HTTL3MBTL1CASP1CYP3A4CYP2C19 | |
| SCHEMBL27693412 | 0.80 | TSHR (0.52) | HTTTSHRGAACA12CA7 | |
| SCHEMBL5055699 | 0.80 | TSHR (0.52) | HTTTSHRGAACA12CA7 | |
| SCHEMBL5063855 | 0.80 | TSHR (0.52) | HTTTSHRGAACA12CA7 |
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-101090723-A | Piperazine urea derivatives for the treatment of endometriosis | SCHERING AG (DE) | 2007-12-19 | — | — | CN | disclosed |