Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523140 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP3A4METAP1KMT2AMEN1 | |
| SCHEMBL28528892 | 0.77 | PDE7A (0.36) | PDE7AKMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL29624742 | 0.77 | PDE7A (0.36) | PDE7AKMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL28521483 | 0.72 | PDE7A (0.36) | ALDH1A1PDE7AGAALMNA | |
| SCHEMBL28523998 | 0.70 | HTT (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL7154577 | 0.69 | METAP1 (0.45) | ALDH1A1CYP3A4THRBMAPK1PDE7A | |
| SCHEMBL388758 | 0.67 | PGR (0.53) | ALDH1A1PDE3BPDE3APRNPMETAP1 | |
| SCHEMBL30548757 | 0.66 | CA1 (0.50) | ALDH1A1CYP3A4THRBMAPK1KMT2A | |
| SCHEMBL4992020 | 0.66 | CA1 (0.50) | ALDH1A1CYP3A4THRBMAPK1KMT2A | |
| SCHEMBL17016643 | 0.66 | MEN1 (0.42) | ALDH1A1PDE3BPDE3AMETAP1KMT2A |
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 |