Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | STAT1 | P42224 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29580311 | 0.85 | RIPK1 (0.35) | NPC1RAB9ATSHRRIPK1BRD4 | |
| SCHEMBL29579760 | 0.75 | GAA (0.42) | ALDH1A1MEN1KMT2AATMBRD4 | |
| SCHEMBL16019485 | 0.75 | RET (0.32) | — | |
| SCHEMBL21187546 | 0.72 | RET (0.44) | BRD4 | |
| SCHEMBL18984612 | 0.69 | BRD4 (0.40) | NPC1RAB9ATSHRALDH1A1RIPK1 | |
| SCHEMBL21191315 | 0.69 | BRD4 (0.40) | NPC1RAB9ATSHRALDH1A1KMT2A | |
| SCHEMBL16019494 | 0.69 | — | — | |
| SCHEMBL21187544 | 0.68 | IDO1 (0.48) | NPC1RAB9ATSHRALDH1A1MEN1 | |
| SCHEMBL11518610 | 0.68 | ALDH1A1 (0.38) | ALDH1A1BRD4 | |
| SCHEMBL3155322 | 0.67 | RET (0.41) | TSHRALDH1A1MEN1KMT2AATM |
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-113651811-B | Isoxazole-containing pyridopyrimidone compound and preparation method and application thereof | 贵州大学 | 2022-06-07 | — | — | CN | disclosed |