Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1966662 | 0.84 | BCL2L1 (0.47) | PDE3BPDE3AMAPK13MAPK12MAPK11 | |
| SCHEMBL3468178 | 0.81 | ADORA2A (0.50) | IKBKBCDC7CYP3A4CYP2C19LMNA | |
| SCHEMBL21722362 | 0.80 | HPGDS (0.51) | CDC7MAPK9MAPK1CYP1A2CYP3A4 | |
| SCHEMBL6747759 | 0.79 | PARP10 (0.40) | IDO1LMNA | |
| SCHEMBL22290171 | 0.78 | LMNA (0.50) | IKBKBMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL28982335 | 0.77 | PTGS2 (0.49) | IKBKBCHUKMAPK9CA9CA12 | |
| SCHEMBL4763130 | 0.77 | KMO (0.44) | CDC7MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL28225056 | 0.76 | PARP1 (0.47) | IKBKBCHUKCDC7MAPK14CA1 | |
| SCHEMBL18076050 | 0.76 | MKNK1 (0.55) | IKBKBCHUKGRM2 | |
| SCHEMBL30108258 | 0.76 | PARP1 (0.47) | IKBKBCHUKCDC7MAPK14CA1 |
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-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |