Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18161912 | 0.78 | SIRT6 (0.49) | ALDH1A1CYP3A4ALOX15TSHRSIRT6 | |
| SCHEMBL29940671 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL2319530 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL12583947 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL4914101 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL30152587 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL2313846 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL9173191 | 0.76 | ALDH1A1 (0.72) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL8902847 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL29190066 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HPGDALOX15TSHR |
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-2011097491-A1 | BENZIMIDAZOLE ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2011-08-11 | — | — | WO | disclosed |