Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL188652 | 0.75 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL12603016 | 0.72 | HTR1B (0.61) | ALDH1A1HTR1BKDM4ECYP2D6CYP2C19 | |
| SCHEMBL1813953 | 0.69 | KDM4E (0.45) | ALDH1A1HTR1BKDM4ECYP1A2CYP2D6 | |
| SCHEMBL188778 | 0.69 | KDM4E (0.53) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL31028996 | 0.69 | HTR1B (0.58) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL13948841 | 0.68 | HRH1 (0.63) | HTR1BCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17147252 | 0.66 | KDM4E (0.62) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL188489 | 0.66 | HTR7 (0.44) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL27639452 | 0.66 | HTR1B (0.43) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 | |
| SCHEMBL188299 | 0.66 | HTR7 (0.44) | ALDH1A1SMN1; SMN2HTR1BKDM4ECYP1A2 |
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-101048405-A | Aryl-substituted piperazine derivatives | NEUROGEN CORP (US) | 2007-10-03 | — | — | CN | disclosed |