Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 14/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8602154 | 0.98 | EPHX1 (0.60) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL8603314 | 0.98 | EPHX1 (0.60) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL6225668 | 0.88 | ALDH1A1 (0.55) | EPHX1ALDH1A1HTTEPHX2 | |
| SCHEMBL8387679 | 0.83 | EPHX1 (0.63) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL4347034 | 0.82 | EPHX2 (0.67) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL8756853 | 0.82 | EPHX2 (0.63) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL4350358 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1HTT | |
| SCHEMBL4358445 | 0.82 | EPHX1 (0.57) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL8602439 | 0.81 | EPHX2 (0.69) | EPHX1ALDH1A1HTTEPHX2HDAC1 | |
| SCHEMBL8602435 | 0.81 | EPHX2 (0.69) | EPHX1ALDH1A1HTTEPHX2HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |