Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GRM6 | O15303 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3404515 | 0.82 | ADORA3 (0.58) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL11556554 | 0.81 | ALDH1A1 (0.58) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL14788530 | 0.80 | ADORA3 (0.56) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL16048276 | 0.76 | ADORA3 (0.52) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL28692318 | 0.75 | ADORA3 (0.47) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL11000332 | 0.72 | ALDH1A1 (0.76) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL3407583 | 0.72 | ALDH1A1 (0.64) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL11001071 | 0.72 | ALDH1A1 (0.57) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL31526313 | 0.71 | ALDH1A1 (0.58) | ADORA3ALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL13615450 | 0.71 | TRPM8 (0.53) | ADORA3ALDH1A1MAPTHPGDNPSR1 |
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-113861181-B | Polysubstituted isothiazole derivative and preparation method thereof | 云南大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-113861181-A | Polysubstituted isothiazole derivative and preparation method thereof | 云南大学 | 2021-12-31 | — | — | CN | disclosed |