Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL26346003 | 0.88 | HDAC6 (0.38) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL21083738 | 0.88 | HDAC6 (0.38) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL18556956 | 0.88 | HDAC6 (0.38) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL27431235 | 0.86 | AAK1 (0.38) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL618047 | 0.84 | CHRNB2 (0.37) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL23773855 | 0.84 | CHRNB2 (0.37) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL19226352 | 0.81 | AAK1 (0.37) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL20225541 | 0.81 | AAK1 (0.37) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL21949882 | 0.81 | AAK1 (0.35) | AAK1HDAC6HDAC1HDAC2MMP13 | |
| SCHEMBL2420069 | 0.81 | AAK1 (0.35) | AAK1HDAC6HDAC1HDAC2MMP13 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |