Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15920333 | 0.81 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL30026143 | 0.80 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL20541087 | 0.80 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL7190436 | 0.79 | NOTUM (0.44) | ALDH1A1KCNA5HSD17B10LMNATP53 | |
| SCHEMBL21110859 | 0.78 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL2010849 | 0.78 | CASP3 (0.48) | CYP2A6ALDH1A1PTGS2HPGDHSD17B10 | |
| SCHEMBL12853987 | 0.78 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL29690092 | 0.78 | CASP3 (0.48) | CYP2A6ALDH1A1PTGS2HPGDHSD17B10 | |
| SCHEMBL31222208 | 0.77 | CYP2A6 (0.45) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL28146113 | 0.76 | TDO2 (0.45) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 |
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 |