Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 7/20 | 0.44 |
| ▸ | CCND1 | P24385 | 4/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.44 |
| ▸ | CCND3 | P30281 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29544383 | 1.00 | AOC3 (0.44) | AOC3CDK4CCND1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL18453319 | 1.00 | AOC3 (0.44) | AOC3CDK4CCND1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL18453329 | 0.96 | CHRNB2 (0.47) | AOC3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL4246373 | 0.89 | CHRNB2 (0.53) | AOC3CDK4CCND1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL28708393 | 0.88 | DEGS1 (0.43) | HRH4ABL1HRH3DEGS1 | |
| Trifluoroacetic Acid SCHEMBL29544489 | 0.88 | DEGS1 (0.43) | HRH4ABL1HRH3DEGS1 | |
| Hydrochloric Acid SCHEMBL4244130 | 0.88 | CHRNB2 (0.51) | AOC3CDK4CCND1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL18453971 | 0.86 | JAK2 (0.48) | CDK4CCNA2CDK2CDK6CCND3 | |
| Trifluoroacetic Acid SCHEMBL18453954 | 0.86 | JAK2 (0.48) | CDK4CCNA2CDK2CDK6CCND3 | |
| Trifluoroacetic Acid SCHEMBL18453160 | 0.86 | CDK6 (0.46) | CDK4CCND1CCNA2CDK2CDK6 |
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-114269742-A | Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents | 常州千红生化制药股份有限公司 | 2022-04-01 | — | — | CN | disclosed |