Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 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 | |
|---|---|---|---|---|
| SCHEMBL27656097 | 0.82 | MAPK14 (0.44) | — | |
| SCHEMBL5729921 | 0.80 | EPHX2 (0.49) | MEN1KMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL27681878 | 0.80 | CYP19A1 (0.41) | KMT2AALDH1A1SMN1; SMN2GAACYP2C9 | |
| SCHEMBL4633675 | 0.79 | CYP19A1 (0.50) | MEN1KMT2AHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL28510969 | 0.77 | ALDH1A1 (0.49) | MEN1KMT2AHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL27676012 | 0.77 | FAAH (0.46) | ALDH1A1SMN1; SMN2KDM4EGAA | |
| SCHEMBL30632615 | 0.75 | HTT (0.60) | MEN1KMT2AHTTPOLBALDH1A1 | |
| SCHEMBL4338 | 0.75 | HTT (0.60) | MEN1KMT2AHTTPOLBALDH1A1 | |
| SCHEMBL27682051 | 0.74 | CYP19A1 (0.46) | HTTALDH1A1SMN1; SMN2GAATDP1 | |
| SCHEMBL27656112 | 0.74 | MEN1 (0.44) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 |
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 |