Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.74 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL27761103 | 0.96 | EPHX2 (0.67) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL8777974 | 0.87 | EPHX2 (0.80) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL8391695 | 0.86 | EPHX1 (0.67) | EPHX2EPHX1ALDH1A1HTTMAPT | |
| SCHEMBL13296457 | 0.84 | EPHX2 (0.71) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL4347034 | 0.84 | EPHX2 (0.67) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL8756365 | 0.83 | EPHX2 (0.70) | EPHX2EPHX1ALDH1A1HTTMAPT | |
| SCHEMBL4346126 | 0.83 | LMNA (0.61) | EPHX2MEN1KMT2AALDH1A1HTT | |
| SCHEMBL4343691 | 0.83 | EPHX1 (0.60) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL8602435 | 0.83 | EPHX2 (0.69) | EPHX2EPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL8602439 | 0.83 | EPHX2 (0.69) | EPHX2EPHX1MEN1KMT2AALDH1A1 |
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 3 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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |