Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KRAS | P01116 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13496830 | 1.00 | SMN1; SMN2 (0.49) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29359092 | 0.98 | SMN1; SMN2 (0.51) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL3230557 | 0.85 | KRAS (0.47) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL13496832 | 0.83 | SMN1; SMN2 (0.47) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL3234383 | 0.83 | SMN1; SMN2 (0.47) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL3228500 | 0.83 | KRAS (0.51) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL22454062 | 0.82 | GPR84 (0.44) | SMN1; SMN2HSD17B10GPR84KDM4EPTGS1 | |
| SCHEMBL3231396 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL3232335 | 0.81 | HTR1D (0.61) | SMN1; SMN2HTR1DHTR6TDP1CYP1A2 | |
| SCHEMBL24453706 | 0.78 | GPR84 (0.38) | SMN1; SMN2GPR84PTGS1PTGS2 |
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 1 patent. 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 |