Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL10702785 | 0.80 | AURKA (0.42) | IDO1AURKAKDRFFAR1CHRNB4 | |
| SCHEMBL6285311 | 0.80 | AURKA (0.42) | ALDH1A1AURKAKDRP2RX7NPC1 | |
| SCHEMBL6335721 | 0.79 | CYP2A6 (0.44) | IDO1ALDH1A1AURKAKDRCHRNB4 | |
| SCHEMBL29611794 | 0.76 | CD274 (0.39) | IDO1AURKAKDRAHRNPC1 | |
| SCHEMBL6753572 | 0.73 | CHRNB4 (0.43) | IDO1AURKAKDRCHRNB4CHRNA3 | |
| SCHEMBL6754324 | 0.73 | ADORA2A (0.40) | ALDH1A1AURKAKDRCHRNB4CHRNA3 | |
| SCHEMBL2587098 | 0.73 | KDM4C (0.36) | AURKAKDRKMT2ACDK2PIK3R2 | |
| SCHEMBL28793570 | 0.72 | CDK2 (0.38) | AURKAKDRPOLBCDK2 | |
| SCHEMBL10961604 | 0.72 | ALDH1A1 (0.52) | IDO1ALDH1A1BRD4CREBBPPOLB | |
| Hydrochloric Acid SCHEMBL6754163 | 0.72 | CHRNB4 (0.42) | IDO1AURKAKDRCHRNB4CHRNA3 |
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-110248940-B | Aryl hydrocarbon receptor (AhR) modulator compounds | 菲尼克斯药品股份公司 | 2022-07-01 | — | — | CN | disclosed |