Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739037 | 1.00 | ABHD6 (0.55) | ABHD6AKR1C3HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL1550147 | 0.85 | ABHD6 (0.60) | ABHD6AKR1C3SMN1; SMN2TRAP1NPC1 | |
| SCHEMBL29644313 | 0.84 | CA1 (0.53) | ABHD6HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28739107 | 0.84 | CA1 (0.53) | ABHD6HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3163275 | 0.84 | HPGD (0.53) | AKR1C3HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28739023 | 0.83 | HPGD (0.70) | ABHD6HPGDALDH1A1SMN1; SMN2TRAP1 | |
| SCHEMBL29644426 | 0.83 | HPGD (0.70) | ABHD6HPGDALDH1A1SMN1; SMN2TRAP1 | |
| SCHEMBL10211721 | 0.83 | HPGD (0.56) | HPGDALDH1A1SMN1; SMN2TRAP1LMNA | |
| SCHEMBL4008584 | 0.81 | NOTUM (0.61) | ABHD6AKR1C3TRAP1LMNA | |
| SCHEMBL13051864 | 0.81 | HPGD (0.50) | HPGDALDH1A1SMN1; SMN2LMNACA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507181-B | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-26 | — | — | CN | disclosed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | disclosed |