Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | NEK4 | P51957 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28355198 | 0.87 | CDK4 (0.44) | HTR1AHTR2AMEN1NPC1GAA | |
| SCHEMBL28358885 | 0.75 | CDK4 (0.43) | ALDH1A1GLAHTR1AHTR2ADRD2 | |
| SCHEMBL20557424 | 0.71 | CDK2 (0.48) | ALDH1A1GLAMEN1KMT2ACDK4 | |
| SCHEMBL30579371 | 0.71 | CDK2 (0.48) | ALDH1A1GLAMEN1KMT2ACDK4 | |
| SCHEMBL28358982 | 0.70 | CDK4 (0.42) | HTR1AHTR2AMEN1NPC1GAA | |
| SCHEMBL29108787 | 0.70 | HTR2A (0.43) | ALDH1A1HTR1AHTR2AMEN1NPC1 | |
| SCHEMBL28355005 | 0.69 | CDK4 (0.41) | HTR1AHTR2ADRD3MEN1NPC1 | |
| SCHEMBL28358898 | 0.69 | CDK4 (0.41) | HTR1AHTR2AMEN1NPC1GAA | |
| SCHEMBL28359180 | 0.68 | HTR1A (0.41) | HTR1AHTR2ARAB9ACDK4CCND1 | |
| SCHEMBL735447 | 0.66 | HTR2A (0.56) | ALDH1A1HTR1AHTR2AMEN1NPC1 |
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-110831600-B | Indole AHR inhibitors and uses thereof | 医肯纳肿瘤学公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-110831600-A | Indole AHR inhibitors and uses thereof | 金恩医疗公司 | 2020-02-21 | — | — | CN | disclosed |