Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7305059 | 0.77 | SMN1; SMN2 (0.42) | TAAR1SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL576685 | 0.75 | SMN1; SMN2 (0.56) | CYP1A2CYP2C19TAAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29722952 | 0.75 | SMN1; SMN2 (0.56) | CYP1A2CYP2C19TAAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10957176 | 0.74 | CYP1A2 (0.63) | CYP2D6CYP1A2CYP2C19TAAR1SMN1; SMN2 | |
| SCHEMBL11868080 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL7300113 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL7303334 | 0.73 | KMT2A (0.46) | CYP2D6CYP1A2CYP2C19TAAR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11572335 | 0.73 | CYP1A2 (0.61) | CYP2D6CYP1A2CYP2C19TAAR1SMN1; SMN2 | |
| SCHEMBL7794850 | 0.72 | BACE1 (0.57) | CYP2D6CYP1A2CYP2C19TAAR1GBA1 | |
| SCHEMBL7794846 | 0.72 | BACE1 (0.57) | CYP2D6CYP1A2CYP2C19TAAR1GBA1 |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |