Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28444980 | 0.84 | IDO1 (0.38) | ALDH1A1CYP1A2HPGDKMT2ALMNA | |
| SCHEMBL28447761 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL28440899 | 0.82 | IDO1 (0.43) | KMT2ALMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL28435146 | 0.80 | GPX4 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL28435103 | 0.80 | IDO1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28436512 | 0.79 | IDO1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL28446796 | 0.79 | MAPT (0.39) | ALDH1A1HPGDGPX4KMT2ALMNA | |
| SCHEMBL28447399 | 0.79 | MAPT (0.40) | ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL28436506 | 0.78 | TP53 (0.39) | ALDH1A1CYP2C9KMT2ALMNAMAPT | |
| SCHEMBL28440601 | 0.78 | IDO1 (0.41) | CYP1A2CYP2C9CYP2C19LMNAMAPT |
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-111153846-B | Pyrrole compound, preparation method thereof, pharmaceutical composition and application | CHINA PHARMACEUTICAL UNIVERSITY (CN) | 2021-08-31 | — | — | CN | disclosed |
| CN-111153846-A | Pyrrole compound, preparation method thereof, pharmaceutical composition and application | 中国药科大学 | 2020-05-15 | — | — | CN | disclosed |