Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528396 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL28285337 | 0.91 | CTSL (0.48) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL4521097 | 0.88 | CTSL (0.52) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL4521105 | 0.88 | CTSL (0.52) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL28907996 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL2587430 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL2343150 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL2343147 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL28286840 | 0.87 | ALDH1A1 (0.58) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL28286842 | 0.87 | ALDH1A1 (0.58) | ALDH1A1MAPTGAAKDM4EPKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476639-B | Pyrrolidine derivatives | 橘生药品工业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2019112024-A1 | PYRROLIDINE COMPOUND | キッセイ薬品工業株式会社 | 2019-06-13 | — | — | WO | disclosed |
| US-8048878-B2 | Two cyclic cinnamide compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-11-01 | — | — | US | disclosed |