Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | AGBL2 | Q5U5Z8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRE | P78334 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29607174 | 1.00 | AKR1B1 (0.43) | AKR1B1AGBL2LMNAL3MBTL1PTGS2 | |
| SCHEMBL21866522 | 0.86 | AGBL2 (0.39) | AKR1B1AGBL2LMNAL3MBTL1PTGS2 | |
| SCHEMBL22870688 | 0.82 | ALDH1A1 (0.39) | LMNAPDE4DKDM4EMEN1ALDH1A1 | |
| SCHEMBL29608510 | 0.82 | ALDH1A1 (0.39) | LMNAPDE4DKDM4EMEN1ALDH1A1 | |
| SCHEMBL17682382 | 0.77 | AKR1B1 (0.44) | AKR1B1AGBL2PTGS2GABRR1PTGDR2 | |
| SCHEMBL17681854 | 0.77 | AKR1B1 (0.41) | AKR1B1LMNAPTGS2PDE4DPTGDR2 | |
| SCHEMBL29687239 | 0.77 | AKR1B1 (0.41) | AKR1B1LMNAPTGS2PDE4DPTGDR2 | |
| SCHEMBL29687111 | 0.76 | — | — | |
| SCHEMBL28189539 | 0.73 | PDXK (0.32) | L3MBTL1MEN1ALDH1A1KMT2A | |
| SCHEMBL940253 | 0.71 | AKR1B1 (0.59) | AKR1B1PDE4DCA2GABRA1GABRA5 |
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-114008032-B | Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators | UCB生物制药有限责任公司 | 2023-11-10 | — | — | CN | disclosed |
| WO-2022117678-A1 | OCTAHYDROISOQUINOLINYL DERIVATIVES | UCB Biopharma SRL (BE) | 2022-06-09 | — | — | WO | disclosed |
| CN-114008032-A | Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators | UCB生物制药有限责任公司 | 2022-02-01 | — | — | CN | disclosed |
| WO-2021001286-A1 | A SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVE AS A D1 POSITIVE ALLOSTERIC MODULATOR | UCB Biopharma SRL (BE) | 2021-01-07 | — | — | WO | disclosed |