Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL803167 | 1.00 | ACHE (0.40) | ACHEKDM4EASPHKDM8ROCK2 | |
| Hydrochloric Acid SCHEMBL785346 | 0.98 | ACHE (0.42) | ACHEKDM4EASPHKDM8ROCK2 | |
| Hydrochloric Acid SCHEMBL785269 | 0.98 | ACHE (0.42) | ACHEKDM4EASPHKDM8ROCK2 | |
| SCHEMBL785710 | 0.93 | ACHE (0.40) | ACHEKDM4EASPHKDM8ROCK2 | |
| SCHEMBL878395 | 0.93 | ACHE (0.40) | ACHEKDM4EASPHKDM8ROCK2 | |
| Hydrochloric Acid SCHEMBL785811 | 0.92 | ACHE (0.42) | ACHEKDM4EASPHKDM8ROCK2 | |
| Hydrochloric Acid SCHEMBL785812 | 0.92 | ACHE (0.42) | ACHEKDM4EASPHKDM8ROCK2 | |
| SCHEMBL13131199 | 0.84 | ACHE (0.43) | ACHEKDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL484525 | 0.83 | ACHE (0.42) | ACHECYP3A4 | |
| Hydrochloric Acid SCHEMBL484523 | 0.83 | ACHE (0.42) | ACHECYP3A4 |
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 |