Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SELL | P14151 | 1/20 | 0.46 |
| ▸ | SELP | P16109 | 1/20 | 0.46 |
| ▸ | SELE | P16581 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24977344 | 1.00 | CYP3A4 (0.50) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL6192702 | 0.87 | CYP3A4 (0.41) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL1682172 | 0.84 | CYP3A4 (0.68) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL15462913 | 0.83 | CYP3A4 (0.48) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL31167093 | 0.81 | CYP3A4 (0.71) | CYP3A4KMT2AMEN1HPGDL3MBTL1 | |
| SCHEMBL16976467 | 0.81 | KDM4E (0.39) | CYP3A4KMT2AMEN1HPGDL3MBTL1 | |
| SCHEMBL30000866 | 0.81 | KMT2A (0.52) | CYP3A4KMT2AMEN1HPGDL3MBTL1 | |
| SCHEMBL30597490 | 0.78 | CYP3A4 (0.54) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL2648126 | 0.78 | CYP3A4 (0.54) | CYP3A4KMT2AMEN1HPGDSELL | |
| SCHEMBL3019010 | 0.78 | KMT2A (0.48) | CYP3A4KMT2AMEN1HPGDL3MBTL1 |
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-117715905-A | Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof | 无界生物公司 | 2024-03-15 | — | — | CN | disclosed |