Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4633675 | 0.87 | CYP19A1 (0.50) | CYP19A1ALDH1A1ADRB2HTTMGLL | |
| SCHEMBL28510969 | 0.85 | ALDH1A1 (0.49) | CYP19A1ALDH1A1ADRB2HTTMGLL | |
| SCHEMBL27682051 | 0.85 | CYP19A1 (0.46) | CYP19A1HDAC1ALDH1A1ADRB2HTT | |
| SCHEMBL28963888 | 0.83 | PTPN1 (0.40) | HDAC1PPARAMAPT | |
| SCHEMBL27655982 | 0.82 | SRD5A2 (0.48) | CYP19A1HRH3 | |
| SCHEMBL4682195 | 0.79 | ALDH1A1 (0.52) | CYP19A1ALDH1A1MGLLMAPK1L3MBTL1 | |
| SCHEMBL27676012 | 0.74 | FAAH (0.46) | ALDH1A1KDM4ESMN1; SMN2CETP | |
| SCHEMBL8784633 | 0.73 | CYP4F2 (0.54) | HDAC1HPGDPPARGPPARAALDH1A1 | |
| SCHEMBL27656112 | 0.73 | MEN1 (0.44) | CYP19A1HRH3SMN1; SMN2 | |
| SCHEMBL22765987 | 0.72 | CTDSP1 (0.57) | HPGDALDH1A1MAPK1L3MBTL1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1972920-A | Arylalkyl piperazine derivatives for the treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms | WYETH CORP (US) | 2007-05-30 | — | — | CN | disclosed |
| CN-1894226-A | Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use | WYETH CORP (US) | 2007-01-10 | — | — | CN | disclosed |