Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896985 | 0.91 | IDO1 (0.44) | IDO1CYP2C9NR1I2ALDH1A1 | |
| SCHEMBL28439217 | 0.91 | IDO1 (0.57) | IDO1CYP2C9NR1I2SMN1; SMN2NPC1 | |
| SCHEMBL28444922 | 0.90 | IDO1 (0.53) | IDO1CYP2C9MAPTPKMALDH1A1 | |
| SCHEMBL28440601 | 0.86 | IDO1 (0.41) | IDO1CYP2C9SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28444859 | 0.86 | IDO1 (0.50) | IDO1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL28440894 | 0.84 | IDO1 (0.55) | IDO1CYP2C9NR1I2CYP1A2CYP2C19 | |
| SCHEMBL28440903 | 0.83 | IDO1 (0.47) | IDO1CYP2C9NR1I2NPC1RAB9A | |
| SCHEMBL28897053 | 0.82 | IDO1 (0.55) | IDO1CYP2C9NR1I2RAB9AMAPT | |
| SCHEMBL28447445 | 0.82 | IDO1 (0.49) | IDO1CYP2C9NR1I2 | |
| SCHEMBL28440885 | 0.81 | IDO1 (0.56) | IDO1CYP2C9NR1I2 |
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 |