Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | IL1RN | P18510 | 1/20 | 0.56 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | UQCRB | P14927 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31219811 | 0.80 | KEAP1 (0.67) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL593259 | 0.79 | KEAP1 (0.58) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL59151 | 0.78 | KEAP1 (0.64) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL6005110 | 0.78 | CA2 (0.64) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL23141160 | 0.76 | KEAP1 (0.61) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL2103296 | 0.74 | KEAP1 (0.58) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL56693 | 0.74 | KEAP1 (1.00) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL22250390 | 0.74 | CA2 (0.58) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL5378696 | 0.74 | CA2 (0.58) | KEAP1CA2CA1IL1RNERAP1 | |
| SCHEMBL146561 | 0.74 | CA2 (0.58) | KEAP1CA2CA1IL1RNERAP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2619186-A1 | PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION | Bayer Pharma Aktiengesellschaft (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038411-A1 | PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-29 | — | — | WO | disclosed |