Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 4/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21566298 | 1.00 | ILK (0.57) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL10032126 | 0.85 | MAPT (0.70) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL1996999 | 0.85 | APP (0.73) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL21566062 | 0.83 | MAPT (0.72) | ILKALDH1A1TDP1APPMMP9 | |
| SCHEMBL23753446 | 0.80 | DYRK1A (0.49) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL21566060 | 0.80 | APP (0.72) | ILKCCNE1CDK2CDK5CDK5R1 | |
| SCHEMBL3196637 | 0.80 | APP (0.62) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL2136576 | 0.79 | APP (0.69) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL2628260 | 0.79 | APP (0.73) | ILKALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL21566078 | 0.79 | APP (0.70) | APPNPC1RAB9AMEN1KMT2A |
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-112384517-B | Heteroaryl compounds and uses thereof | 新旭生技股份有限公司 | 2023-07-14 | — | — | CN | disclosed |