Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | RET | P07949 | 1/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.54 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.54 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562759 | 0.83 | AURKA (0.84) | AURKAALDH1A1TDP1CCNB2CDK1 | |
| SCHEMBL395435 | 0.81 | ALDH1A1 (0.64) | AURKAALDH1A1TDP1POLBL3MBTL1 | |
| SCHEMBL30754739 | 0.81 | ALDH1A1 (0.58) | AURKAALDH1A1TDP1CCNB2CDK1 | |
| SCHEMBL22543121 | 0.81 | ALDH1A1 (0.58) | AURKAALDH1A1TDP1CCNB2CDK1 | |
| SCHEMBL1921414 | 0.79 | ALDH1A1 (0.61) | AURKAALDH1A1TDP1POLBL3MBTL1 | |
| SCHEMBL3265738 | 0.79 | MEN1 (0.58) | AURKAALDH1A1CDK1POLBKMT2A | |
| SCHEMBL5030690 | 0.77 | TSHR (0.57) | AURKAALDH1A1TDP1CCNB2CDK1 | |
| SCHEMBL14862084 | 0.76 | SMN1; SMN2 (0.47) | AURKAALDH1A1TDP1CCNB2CDK1 | |
| SCHEMBL1462421 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBKMT2ASMN1; SMN2LMNA | |
| SCHEMBL1921413 | 0.75 | ALDH1A1 (0.57) | AURKAALDH1A1TDP1POLBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |