Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.70 |
| ▸ | CMA1 | P23946 | 1/20 | 0.70 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 7/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.55 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.55 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 5/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2395389 | 1.00 | AHR (0.70) | AHRCMA1CA9MAOBNPC1 | |
| SCHEMBL9405611 | 0.89 | AHR (0.66) | AHRCMA1CA9MAOBNPC1 | |
| SCHEMBL6956357 | 0.86 | AHR (0.59) | AHRCMA1CA9MAOBHTR3E | |
| SCHEMBL1764573 | 0.85 | AHR (0.70) | AHRCMA1CA9MAOBNPC1 | |
| SCHEMBL29908519 | 0.82 | AHR (1.00) | AHRCMA1CRBNHTR3EHTR3B | |
| SCHEMBL221280 | 0.82 | AHR (1.00) | AHRCMA1CRBNHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL29594534 | 0.81 | AHR (0.96) | AHRCMA1CRBNHTR3EHTR3B | |
| SCHEMBL772241 | 0.78 | CES1 (0.53) | AHRCMA1NPC1MAPK13MAPK12 | |
| SCHEMBL5740932 | 0.77 | AHR (0.55) | AHRCMA1CA9MAOBMAOA | |
| SCHEMBL1025832 | 0.77 | CA9 (0.62) | CA9MAOBNPC1MAPK13MAPK12 |
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-114436955-B | Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2024-08-09 | — | — | CN | disclosed |
| CN-114436955-A | Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2022-05-06 | — | — | CN | disclosed |