Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL469848 | 0.79 | ALDH1A1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10958524 | 0.77 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11986269 | 0.77 | CYP1A1 (0.75) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1145983 | 0.77 | CYP1A1 (0.75) | CA1CA2CA7CA9CA12 | |
| Hydrogen Sulfide SCHEMBL17008164 | 0.75 | CYP1A1 (0.72) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6152469 | 0.74 | ALDH1A1 (0.53) | CA1CA2CA7CA9CA12 | |
| SCHEMBL438406 | 0.74 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL482369 | 0.74 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.72 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.72 | CA1 (1.00) | CA1CA2CA7CA9CA12 |
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-110724110-B | Preparation method and application of 4-heteroatom-3, 4,5 substituted isoxazole compound | 香港科技大学深圳研究院 | 2022-04-26 | — | — | CN | disclosed |
| CN-110724110-A | Preparation method and application of 3,4,5 (4-heteroatom) fully-substituted isoxazole compound | 香港科技大学深圳研究院 | 2020-01-24 | — | — | CN | disclosed |