Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528892 | 0.84 | PDE7A (0.36) | POLBMEN1KMT2APGR | |
| SCHEMBL29624742 | 0.84 | PDE7A (0.36) | POLBMEN1KMT2APGR | |
| SCHEMBL28526746 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MEN1KMT2AMETAP1 | |
| SCHEMBL28523998 | 0.81 | HTT (0.33) | ALDH1A1CYP3A4HTT | |
| SCHEMBL28521483 | 0.78 | PDE7A (0.36) | ALDH1A1PGR | |
| SCHEMBL28521542 | 0.74 | SLC6A11 (0.44) | PGR | |
| SCHEMBL15315863 | 0.71 | METAP1 (0.42) | CYP3A4POLBCYP1A2CYP2C19KDM4E | |
| SCHEMBL3368868 | 0.65 | PGR (0.69) | ALDH1A1CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL13716890 | 0.64 | PGR (0.40) | ALDH1A1CYP3A4POLBCYP1A2CYP2C19 | |
| SCHEMBL6455621 | 0.64 | PGR (0.40) | ALDH1A1CYP3A4POLBCYP1A2CYP2C19 |
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-112321481-B | Chiral indole compound and preparation method thereof | 杭州师范大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-112321481-A | Chiral indole compound and preparation method thereof | 杭州师范大学 | 2021-02-05 | — | — | CN | disclosed |