Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703971 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP2D6SMN1; SMN2LMNASIGMAR1 | |
| SCHEMBL1704763 | 0.80 | CYP4F2 (0.38) | ALDH1A1CYP2D6SMN1; SMN2LMNASIGMAR1 | |
| SCHEMBL1633895 | 0.78 | KDM4E (0.51) | ALDH1A1CYP2D6SMN1; SMN2LMNASIGMAR1 | |
| SCHEMBL2007650 | 0.76 | POLB (0.39) | ALDH1A1CYP2D6LMNAKDM4ETSHR | |
| SCHEMBL14813579 | 0.74 | GAA (0.50) | ALDH1A1CYP2D6SMN1; SMN2LMNASIGMAR1 | |
| SCHEMBL1188920 | 0.74 | MEN1 (0.48) | ALDH1A1SMN1; SMN2KDM4EHTTMEN1 | |
| SCHEMBL7364364 | 0.74 | DRD4 (0.59) | SMN1; SMN2LMNAKDM4EHDAC4HDAC1 | |
| SCHEMBL1704155 | 0.74 | MLNR (0.60) | ALDH1A1CYP2D6KCNH2KMT2APOLB | |
| SCHEMBL1704529 | 0.74 | MLNR (0.60) | ALDH1A1CYP2D6KCNH2KMT2APOLB | |
| SCHEMBL25244127 | 0.73 | SMN1; SMN2 (0.53) | ALDH1A1CYP2D6SMN1; SMN2LMNAKDM4E |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |