Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3020104 | 0.80 | KDR (0.60) | CYP2D6CYP2C9POLBSMN1; SMN2NPC1 | |
| SCHEMBL3007286 | 0.80 | KDR (0.60) | CYP2D6CYP2C9POLBSMN1; SMN2NPC1 | |
| SCHEMBL394289 | 0.77 | KCNMA1 (0.79) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3936366 | 0.77 | KDR (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL103130 | 0.76 | NOS1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL27699226 | 0.76 | KDR (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11995707 | 0.76 | MAPT (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30733199 | 0.76 | MAPT (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7717663 | 0.75 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30776547 | 0.75 | GAA (0.45) | CYP1A2CYP3A4POLBGAAALDH1A1 |
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-2008144933-A1 | CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE | Université de Montréal (CA) | 2008-12-04 | — | — | WO | disclosed |