Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4344923 | 0.81 | CYP3A4 (0.33) | CYP3A4CYP2D6 | |
| SCHEMBL25043792 | 0.77 | BCHE (0.42) | ALDH1A1KMT2ABCHEKDM4EHTT | |
| SCHEMBL12095202 | 0.77 | — | — | |
| SCHEMBL111468 | 0.77 | — | — | |
| SCHEMBL13191364 | 0.74 | CYP3A4 (0.49) | ALDH1A1KMT2ABCHEKDM4EFKBP5 | |
| SCHEMBL3968077 | 0.74 | CYP3A4 (0.49) | ALDH1A1KMT2ABCHEKDM4EFKBP5 | |
| SCHEMBL15892530 | 0.74 | CYP3A4 (0.49) | ALDH1A1KMT2ABCHEKDM4EFKBP5 | |
| SCHEMBL4403104 | 0.72 | BCHE (0.39) | ALDH1A1KMT2ABCHEKDM4EHTT | |
| SCHEMBL4404079 | 0.71 | KMT2A (0.41) | ALDH1A1KMT2ABCHEHTT | |
| SCHEMBL5318323 | 0.70 | MAPT (0.43) | ALDH1A1KMT2AKDM4ECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007069053-A1 | BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR | PFIZER PRODUCTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |