Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.44 |
| ▸ | FADS1 | O60427 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | PYGM | P11217 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL785412 | 0.81 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2ALDH1A1PYGL | |
| SCHEMBL878113 | 0.81 | TAS1R3 (0.40) | SMN1; SMN2TAS1R3TAS1R1PTK2BTSHR | |
| SCHEMBL785296 | 0.81 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2ALDH1A1PYGL | |
| SCHEMBL2815355 | 0.81 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2ALDH1A1PYGL | |
| SCHEMBL784591 | 0.79 | CYP1A2 (0.50) | SMN1; SMN2TAS1R3TAS1R1PTK2BKDM4E | |
| SCHEMBL786013 | 0.79 | CYP1A2 (0.50) | SMN1; SMN2TAS1R3TAS1R1PTK2BKDM4E | |
| SCHEMBL8181063 | 0.78 | ALDH1A1 (0.45) | TAS1R3TAS1R1KDM4ETAS1R2ALDH1A1 | |
| SCHEMBL8255449 | 0.76 | PDPK1 (0.51) | TAS1R3TAS1R1KDM4EALDH1A1MAPT | |
| SCHEMBL10405757 | 0.73 | CYP1A2 (0.65) | SMN1; SMN2TSHRALDH1A1PDE4APDE4B | |
| SCHEMBL485983 | 0.73 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1LMNARAB9APTK2B |
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 |