Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | KIF11 | P52732 | 8/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26613441 | 1.00 | ESR1 (0.51) | ESR1ESR2KIF11KDM1APARP1 | |
| SCHEMBL15888360 | 1.00 | ESR1 (0.51) | ESR1ESR2KIF11KDM1APARP1 | |
| SCHEMBL29746091 | 0.83 | ESR1 (0.52) | ESR1ESR2KIF11 | |
| SCHEMBL26613367 | 0.83 | ESR1 (0.52) | ESR1ESR2KIF11 | |
| SCHEMBL26613398 | 0.82 | PARP1 (0.53) | ESR1ESR2KDM1APARP1PARP2 | |
| SCHEMBL29746286 | 0.82 | PARP1 (0.53) | ESR1ESR2KDM1APARP1PARP2 | |
| SCHEMBL26613523 | 0.82 | HTR2C (0.48) | ESR1ESR2PARP1PARP2HTR2C | |
| SCHEMBL29746117 | 0.82 | HTR2C (0.48) | ESR1ESR2PARP1PARP2HTR2C | |
| SCHEMBL26613453 | 0.81 | ESR1 (0.47) | ESR1ESR2KIF11PARP1PARP2 | |
| SCHEMBL26613451 | 0.81 | ESR1 (0.55) | ESR1ESR2HTR2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119403554-A | Therapeutic or prophylactic agent for amyotrophic lateral sclerosis | 东丽株式会社 | 2025-02-07 | — | — | CN | disclosed |
| CN-116648245-A | Tetrahydroquinoline derivative and medical application thereof | 东丽株式会社 | 2023-08-25 | — | — | CN | disclosed |
| WO-2022138888-A1 | TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF | 東レ株式会社 | 2022-06-30 | — | — | WO | disclosed |