Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26613452 | 1.00 | ESR1 (0.46) | ESR1ESR2GRIN2BCHRNB4CHRNA3 | |
| SCHEMBL29746002 | 0.90 | ESR1 (0.55) | ESR1ESR2GRIN2BCHRNB4CHRNA3 | |
| SCHEMBL26613534 | 0.90 | ESR1 (0.55) | ESR1ESR2GRIN2BCHRNB4CHRNA3 | |
| SCHEMBL29746054 | 0.84 | ESR1 (0.50) | ESR1ESR2GRIN2BTSHR | |
| SCHEMBL26613344 | 0.84 | ESR1 (0.50) | ESR1ESR2GRIN2BTSHR | |
| SCHEMBL29746040 | 0.83 | ESR1 (0.43) | ESR1ESR2GRIN2BCHRNB4CHRNA3 | |
| SCHEMBL26613463 | 0.83 | ESR1 (0.43) | ESR1ESR2GRIN2BCHRNB4CHRNA3 | |
| SCHEMBL5051433 | 0.77 | ESR1 (0.51) | ESR1ESR2GRIN2BMEN1NPC1 | |
| SCHEMBL13306192 | 0.77 | ESR1 (0.51) | ESR1ESR2GRIN2BMEN1NPC1 | |
| SCHEMBL30124970 | 0.77 | ESR1 (0.51) | ESR1ESR2GRIN2BMEN1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |