Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL785625 | 0.82 | ALDH1A1 (0.57) | TAS1R3TAS1R1TAS1R2CYP2C19ALDH1A1 | |
| SCHEMBL785162 | 0.82 | ALDH1A1 (0.57) | TAS1R3TAS1R1TAS1R2CYP2C19ALDH1A1 | |
| SCHEMBL878046 | 0.81 | SMN1; SMN2 (0.45) | TAS1R3TAS1R1TAS1R2PTK2BSMN1; SMN2 | |
| SCHEMBL484460 | 0.78 | ALDH1A1 (0.57) | TAS1R3TAS1R1TAS1R2CYP2C19ALDH1A1 | |
| SCHEMBL785361 | 0.78 | ALDH1A1 (0.57) | TAS1R3TAS1R1TAS1R2CYP2C19ALDH1A1 | |
| SCHEMBL883817 | 0.73 | TAS1R3 (0.49) | TAS1R3TAS1R1TAS1R2SMN1; SMN2ALDH1A1 | |
| SCHEMBL785977 | 0.72 | ACHE (0.37) | SMN1; SMN2 | |
| SCHEMBL2822056 | 0.71 | ALDH1A1 (0.67) | TAS1R3TAS1R1TAS1R2ALDH1A1HTT | |
| SCHEMBL2822060 | 0.71 | ALDH1A1 (0.67) | TAS1R3TAS1R1TAS1R2ALDH1A1HTT | |
| SCHEMBL785280 | 0.70 | ALDH1A1 (0.54) | TAS1R3TAS1R1TAS1R2ALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |