Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2889217 | 0.73 | — | — | |
| SCHEMBL13406335 | 0.71 | ALDH1A1 (0.33) | ALDH1A1CA1CA2LMNACA12 | |
| SCHEMBL10886397 | 0.70 | — | — | |
| SCHEMBL20160331 | 0.70 | ALDH1A1 (0.33) | ALDH1A1CA1CA2LMNACA12 | |
| SCHEMBL12765334 | 0.70 | ARG1 (0.36) | ALDH1A1CA2ARG1CA12 | |
| SCHEMBL4573544 | 0.69 | CA2 (0.48) | ALDH1A1CA1CA2ARG1HTT | |
| SCHEMBL13386684 | 0.68 | MAOA (0.33) | ALDH1A1CA1CA2CA12 | |
| SCHEMBL14069660 | 0.68 | GRIA1 (0.46) | ALDH1A1 | |
| SCHEMBL6816645 | 0.67 | — | — | |
| SCHEMBL13585238 | 0.67 | PMP22 (0.40) | ALDH1A1CA1CA2ARG1 |
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-2970200-A1 | PYRIDINE CDK9 KINASE INHIBITORS | Abbvie Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014160017-A1 | PYRIDINE CDK9 KINASE INHIBITORS | ABBVIE INC. (US) | 2014-10-02 | — | — | WO | disclosed |