Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL670294 | 0.83 | CYP2A6 (0.41) | CYP2A6ALDH1A1IMPDH2ERN1KMT2A | |
| SCHEMBL28628675 | 0.81 | BRD4 (0.33) | KRASSLC2A1KMT2A | |
| SCHEMBL29744434 | 0.74 | PTPN1 (0.41) | CYP2A6ALDH1A1ERN1KMT2APIM3 | |
| SCHEMBL23497546 | 0.74 | PTPN1 (0.41) | CYP2A6ALDH1A1ERN1KMT2APIM3 | |
| SCHEMBL24143350 | 0.74 | CYP2A6 (0.41) | CYP2A6ALDH1A1KRASIMPDH2ERN1 | |
| SCHEMBL16502064 | 0.72 | ALDH1A1 (0.62) | CYP2A6ALDH1A1IMPDH2ERN1KDM4E | |
| SCHEMBL671605 | 0.72 | PDE4B (0.46) | CYP2A6ALDH1A1KRASIMPDH2ERN1 | |
| SCHEMBL26673774 | 0.70 | ERN1 (0.38) | CYP2A6ALDH1A1KRASIMPDH2ERN1 | |
| SCHEMBL28625221 | 0.69 | BRD4 (0.53) | SLC2A1SLC6A2 | |
| SCHEMBL14977539 | 0.69 | SLC2A1 (0.47) | ALDH1A1IMPDH2SLC2A1KMT2ASLC6A2 |
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-113402515-B | Indole compound and preparation method and application thereof | 四川大学华西医院 | 2022-05-27 | — | — | CN | disclosed |
| CN-113402515-A | Indole compound and preparation method and application thereof | 四川大学华西医院 | 2021-09-17 | — | — | CN | disclosed |