Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | MLKL | Q8NB16 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12895233 | 0.84 | MLKL (0.54) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL31695250 | 0.83 | CYP1A2 (0.51) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL29488677 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19970842 | 0.81 | MLKL (0.50) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL22371408 | 0.79 | NPC1 (0.44) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL828113 | 0.78 | KDM4E (0.56) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL10360138 | 0.78 | PRKAG1 (0.49) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL7404851 | 0.76 | MLKL (0.45) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL766092 | 0.76 | TDP1 (0.49) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 | |
| SCHEMBL9305228 | 0.76 | TDP1 (0.49) | ALDH1A1SMN1; SMN2TDP1HSP90AA1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114230523-A | Benzimidazole derivatives as modulators of ROR-gamma | 生命医药有限责任公司 | 2022-03-25 | — | — | CN | disclosed |