Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.58 |
| ▸ | PKLR | P30613 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739015 | 1.00 | PKM (0.59) | PKMAKR1C3PKLRNPC1RAB9A | |
| SCHEMBL5200784 | 0.80 | HTR6 (0.62) | PKMPKLRNPC1RAB9AALDH1A1 | |
| SCHEMBL6186477 | 0.79 | HTR6 (0.58) | AKR1C3SMN1; SMN2LMNATSHRCYP3A4 | |
| SCHEMBL28739248 | 0.78 | PKM (0.51) | PKMAKR1C3PKLRNPC1RAB9A | |
| SCHEMBL1922152 | 0.77 | AKR1C3 (0.56) | AKR1C3SMN1; SMN2LMNAHTTTSHR | |
| SCHEMBL28739104 | 0.77 | PKM (0.50) | PKMAKR1C3PKLRNPC1RAB9A | |
| SCHEMBL29644387 | 0.76 | AKR1C3 (0.48) | PKMAKR1C3PKLRNPC1RAB9A | |
| SCHEMBL38665472 | 0.76 | AKR1C3 (0.57) | AKR1C3SMN1; SMN2LMNATSHR | |
| SCHEMBL29229997 | 0.76 | HTR3E (0.42) | PKMNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL30874289 | 0.76 | HTR3E (0.42) | PKMNPC1RAB9AALDH1A1SMN1; SMN2 |
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 |