Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28436495 | 0.85 | NPSR1 (0.39) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28444865 | 0.83 | ALDH1A1 (0.34) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28439218 | 0.83 | IDO1 (0.51) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28440894 | 0.78 | IDO1 (0.55) | CYP1A2CYP2C9CYP2C19IDO1CYP3A4 | |
| SCHEMBL28440903 | 0.77 | IDO1 (0.47) | CYP1A2CYP2C9CYP2C19IDO1CYP3A4 | |
| SCHEMBL28444922 | 0.77 | IDO1 (0.53) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28444869 | 0.77 | NPSR1 (0.43) | ALDH1A1IDO1KDM4EMAPTLMNA | |
| SCHEMBL28444990 | 0.77 | NPSR1 (0.41) | ALDH1A1HPGDIDO1KDM4EMAPT | |
| SCHEMBL28442437 | 0.77 | IDO1 (0.54) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15058993 | 0.73 | RECQL (0.43) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 |
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 |