Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.53 |
| ▸ | NEK2 | P51955 | 2/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6201799 | 1.00 | KDM4E (0.53) | KDM4ENEK2PLK1CYP19A1CYP11B2 | |
| SCHEMBL7708384 | 0.78 | KMT2A (0.70) | KDM4ENEK2PLK1CYP19A1CYP11B2 | |
| SCHEMBL1859805 | 0.78 | MCL1 (0.50) | KDM4EKMT2AMAPTMEN1LMNA | |
| SCHEMBL18805084 | 0.75 | KDM4E (0.53) | KDM4ENEK2PLK1CYP19A1CYP11B2 | |
| SCHEMBL26552220 | 0.75 | KDM4E (0.53) | KDM4ENEK2PLK1CYP19A1CYP11B2 | |
| SCHEMBL30844141 | 0.73 | ESR1 (0.63) | KDM4EKMT2AMAPTMEN1LMNA | |
| SCHEMBL5705847 | 0.71 | KDM4E (0.72) | KDM4ENEK2PLK1KMT2AALDH1A1 | |
| SCHEMBL5705852 | 0.71 | KDM4E (0.72) | KDM4ENEK2PLK1KMT2AALDH1A1 | |
| SCHEMBL13659547 | 0.69 | MAPT (0.59) | KDM4ECYP19A1CYP11B2KMT2AMAPT | |
| SCHEMBL13659593 | 0.67 | KDM4E (0.68) | KDM4EKMT2AMAPTMEN1LMNA |
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-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | disclosed |