Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468318 | 0.83 | PBRM1 (0.74) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL1637254 | 0.81 | AKR1C3 (0.55) | LMNAMAPTGAAATMTDP1 | |
| SCHEMBL9403450 | 0.78 | MAPT (0.69) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL29436991 | 0.78 | MAPT (0.69) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL7557424 | 0.77 | NPC1 (0.41) | POLBNPC1MAPTGAACA1 | |
| SCHEMBL4305925 | 0.77 | ATM (0.53) | LMNAMAPTGAACA1CA2 | |
| SCHEMBL17744824 | 0.77 | PBRM1 (0.70) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL5311577 | 0.77 | PBRM1 (0.70) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL17744898 | 0.76 | PBRM1 (0.68) | PBRM1POLBNPC1MITFLMNA | |
| SCHEMBL17744777 | 0.76 | MAPT (0.65) | PBRM1POLBNPC1MITFLMNA |
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-107963996-B | Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method | 江西师范大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-108069918-B | Method for preparing 3-difluoromethyl isoxazole compound by one-pot method | 江西师范大学 | 2021-05-28 | — | — | CN | disclosed |