Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 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 | |
|---|---|---|---|---|
| SCHEMBL1504887 | 0.82 | ADAM17 (0.51) | TAS1R3TAS1R1RAB9A | |
| SCHEMBL1504682 | 0.79 | ADAM17 (0.41) | RAB9ANPC1 | |
| SCHEMBL10276701 | 0.76 | ADAM17 (0.63) | TAS1R3TAS1R1 | |
| SCHEMBL1504674 | 0.71 | ADAM17 (0.61) | ACACB | |
| SCHEMBL1504776 | 0.71 | ADAM17 (0.63) | — | |
| SCHEMBL1504528 | 0.70 | ADAM17 (0.62) | — | |
| SCHEMBL3787786 | 0.68 | TAS1R3 (0.61) | TAS1R3TAS1R1RAB9ANPC1ROCK2 | |
| SCHEMBL1504857 | 0.68 | ADAM17 (0.64) | — | |
| SCHEMBL20861044 | 0.67 | TAS1R3 (0.63) | TAS1R3TAS1R1RAB9ANPC1MAPK14 | |
| SCHEMBL1504817 | 0.67 | ALDH1A1 (0.44) | GAA |
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-2011033009-A1 | N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2011-03-24 | — | — | WO | disclosed |