Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL5642556 | 0.84 | SMN1; SMN2 (0.42) | SMN1; SMN2CYP2A6MAOAALDH1A1DAO | |
| SCHEMBL8932716 | 0.76 | CNR2 (0.33) | SMN1; SMN2MAOAGAAKMT2ACYP1A2 | |
| SCHEMBL29894136 | 0.76 | GRIN2D (0.51) | ALDH1A1DAOMCL1GRIN2DGRIN3B | |
| SCHEMBL342762 | 0.76 | GRIN2D (0.51) | ALDH1A1DAOMCL1GRIN2DGRIN3B | |
| SCHEMBL4784169 | 0.75 | PTGER4 (0.43) | SMN1; SMN2CYP2A6ALDH1A1KMT2APTGER4 | |
| SCHEMBL21803766 | 0.75 | KDM4E (0.41) | SMN1; SMN2CYP2A6ALDH1A1GRIN2DGRIN3B | |
| SCHEMBL30229435 | 0.73 | PTGER4 (0.55) | SMN1; SMN2ALDH1A1GAAKMT2APTGER4 | |
| SCHEMBL18247464 | 0.73 | PTGER4 (0.55) | SMN1; SMN2ALDH1A1GAAKMT2APTGER4 | |
| SCHEMBL670199 | 0.73 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2A6ALDH1A1DAOMCL1 | |
| SCHEMBL4589923 | 0.73 | CYP2A6 (0.42) | CYP2A6ALDH1A1DAOMCL1GAA |
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-2011139242-A2 | PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE DERIVATIVES | USTAV EXPIREMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) | 2011-11-10 | — | — | WO | disclosed |