Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11057194 | 0.78 | MAPK1 (0.53) | HTR6TDP1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL28322481 | 0.75 | TDP1 (0.58) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL6584237 | 0.75 | TSHR (0.58) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL2482400 | 0.73 | HTR6 (1.00) | HTR6ALDH1A1MAPK1L3MBTL1MAPT | |
| SCHEMBL7811895 | 0.71 | MAPT (0.57) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL6437317 | 0.70 | NPSR1 (0.52) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL12205175 | 0.70 | HTR6 (0.66) | HTR6TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL1254184 | 0.69 | TDP1 (0.72) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL10580375 | 0.69 | MAPT (0.54) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL7811926 | 0.69 | KAT2B (0.52) | TDP1TSHRALDH1A1CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1851210-B1 | NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2011-10-19 | — | — | EP | disclosed |