Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.44 |
| ▸ | CA2 | P00918 | 13/20 | 0.44 |
| ▸ | CA9 | Q16790 | 11/20 | 0.44 |
| ▸ | CA7 | P43166 | 9/20 | 0.44 |
| ▸ | CA12 | O43570 | 8/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL26613434 | 1.00 | CA1 (0.44) | CA1CA2CA9CA7CA12 | |
| SCHEMBL26613392 | 0.91 | ESR1 (0.50) | CA1CA2CA9CA7CA12 | |
| SCHEMBL26613422 | 0.84 | PTGS2 (0.43) | CA1CA2CA9CA7CA12 | |
| SCHEMBL29746029 | 0.84 | PTGS2 (0.43) | CA1CA2CA9CA7CA12 | |
| SCHEMBL29746019 | 0.82 | ESR1 (0.44) | CA1CA2CA9CA7CA12 | |
| SCHEMBL26613384 | 0.82 | ESR1 (0.44) | CA1CA2CA9CA7CA12 | |
| SCHEMBL29746031 | 0.79 | ESR1 (0.45) | ESR1ESR2 | |
| SCHEMBL26613374 | 0.79 | ESR1 (0.45) | ESR1ESR2 | |
| SCHEMBL26613454 | 0.78 | ESR1 (0.50) | CA1CA2CA9CA7CA12 | |
| SCHEMBL26613388 | 0.78 | ESR1 (0.53) | CA1CA2CA9CA7CA12 |
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 6 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 | claimed |
| CN-116648245-A | Tetrahydroquinoline derivative and medical application thereof | 东丽株式会社 | 2023-08-25 | — | — | CN | claimed |
| WO-2022138888-A1 | TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF | 東レ株式会社 | 2022-06-30 | — | — | WO | claimed |
| 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 |