Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL918007 | 0.76 | SETD7 (0.38) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6668478 | 0.74 | CALM1 (0.41) | ADRA1AADRA1DADRA1BALDH1A1CYP1A2 | |
| SCHEMBL18243518 | 0.73 | SETD7 (0.36) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| Indene SCHEMBL9451544 | 0.72 | CYP2D6 (0.40) | ADRA1AADRA1DADRA1BALDH1A1CYP1A2 | |
| SCHEMBL18242409 | 0.70 | SETD7 (0.38) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10419982 | 0.69 | SETD7 (0.40) | HTR2AKCNH2 | |
| SCHEMBL5894113 | 0.69 | ALDH1A1 (0.35) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL251163 | 0.69 | ALDH1A1 (0.35) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29569948 | 0.69 | ALDH1A1 (0.35) | ADRA1AADRA1DALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10760571 | 0.68 | SETD7 (0.43) | HTR2AKCNH2 |
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-2008135386-A1 | CHIRAL LIGANDS OF THE N-HETEROCYCLIC CARBENE TYPE FOR ASYMMETRICAL CATALYSIS | ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) | 2008-11-13 | — | — | WO | disclosed |