Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.37 |
| ▸ | USP5 | P45974 | 1/20 | 0.37 |
| ▸ | USP4 | Q13107 | 1/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27711545 | 0.79 | BCL2 (0.42) | ALOX5KEAP1BCL2L1BCL2CYP11B1 | |
| SCHEMBL1136950 | 0.78 | BCL2 (0.46) | PTPN1ALOX5BCL2L1BCL2CYP11B1 | |
| SCHEMBL4527028 | 0.74 | PDCD1 (0.37) | CYP11B1CYP11B2CDK1CDK4CCNB1 | |
| SCHEMBL28770585 | 0.70 | CYP17A1 (0.46) | BCL2L1CYP11B1CYP11B2CYP19A1MMP3 | |
| SCHEMBL27773753 | 0.69 | CTRC (0.39) | BCL2L1BCL2CYP11B1CYP11B2 | |
| SCHEMBL24137890 | 0.68 | CYP11B1 (0.43) | CYP11B1CYP11B2NR1H2NR1H3 | |
| SCHEMBL8056670 | 0.67 | ESR1 (0.67) | PTPN1ALOX5KEAP1BCL2L1CYP11B1 | |
| SCHEMBL1071093 | 0.67 | KEAP1 (0.55) | PTPN1ALOX5KEAP1BCL2L1BCL2 | |
| SCHEMBL27743753 | 0.67 | ALOX5 (0.67) | ALOX5KEAP1BCL2L1BCL2 | |
| SCHEMBL30117340 | 0.67 | KEAP1 (0.64) | ALOX5KEAP1BCL2L1BCL2ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101128199-B | Monocyclic heterocycles as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2013-07-24 | — | — | CN | disclosed |
| CN-101128199-A | Monocyclic heterocycles as kinase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-02-20 | — | — | CN | disclosed |