Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29687075 | 1.00 | SCN9A (0.35) | SCN9ASCN10AKDM4EALDH1A1RIPK1 | |
| SCHEMBL29661241 | 0.89 | CREBBP (0.35) | SCN9ASCN10AKDM4EL3MBTL1 | |
| SCHEMBL29169477 | 0.81 | GAA (0.38) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL27887680 | 0.72 | ALDH1A1 (0.41) | KDM4EALDH1A1L3MBTL1MTNR1AMTNR1B | |
| SCHEMBL17316718 | 0.72 | CACNA1H (0.50) | — | |
| SCHEMBL22014860 | 0.71 | RIPK1 (0.31) | KDM4EALDH1A1RIPK1RIPK3 | |
| SCHEMBL17316500 | 0.70 | CACNA1H (0.46) | RIPK1RIPK3PDE1C | |
| SCHEMBL29845542 | 0.70 | ALDH1A1 (0.42) | SCN9AALDH1A1 | |
| SCHEMBL31750246 | 0.69 | SLC16A3 (0.33) | SLC16A3SLC16A1CCR4 | |
| SCHEMBL31339741 | 0.69 | MAP4K4 (0.35) | SCN9AJAK2JAK3 |
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-117700395-A | Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators | UCB生物制药有限责任公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113993857-B | Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators | UCB生物制药有限责任公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-116507332-A | Octahydroisoquinolinyl derivatives | UCB生物制药有限责任公司 | 2023-07-28 | — | — | CN | disclosed |
| WO-2022117678-A1 | OCTAHYDROISOQUINOLINYL DERIVATIVES | UCB Biopharma SRL (BE) | 2022-06-09 | — | — | WO | disclosed |
| CN-113993857-A | Substituted tetrahydroisoquinoline derivatives as D1 positive allosteric modulators | UCB生物制药有限责任公司 | 2022-01-28 | — | — | CN | disclosed |
| WO-2021001288-A1 | A SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVE AS A D1 POSITIVE ALLOSTERIC MODULATOR | UCB Biopharma SRL (BE) | 2021-01-07 | — | — | WO | disclosed |