Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.42 |
| ▸ | NAAA | Q02083 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351425 | 0.88 | EPHX2 (0.37) | EPHX2TRPV1EPHX1NAAA | |
| SCHEMBL4346130 | 0.85 | CA1 (0.51) | EPHX2TRPV1EPHX1NAAACA1 | |
| SCHEMBL4354053 | 0.84 | TRPV1 (0.44) | EPHX2TRPV1EPHX1NAAA | |
| SCHEMBL4350363 | 0.83 | TRPV1 (0.43) | TRPV1EPHX1NAAAESR1 | |
| SCHEMBL4350873 | 0.83 | EPHX1 (0.40) | EPHX2TRPV1EPHX1NAAACA1 | |
| SCHEMBL4358550 | 0.78 | EPHX2 (0.39) | EPHX2TRPV1EPHX1NAAACA1 | |
| SCHEMBL4356038 | 0.77 | HPGD (0.44) | EPHX2TRPV1EPHX1NAAA | |
| SCHEMBL4346980 | 0.76 | CA2 (0.48) | TRPV1EPHX1CA1CA2 | |
| SCHEMBL4350102 | 0.75 | TRPV1 (0.49) | EPHX2TRPV1NAAA | |
| SCHEMBL4346809 | 0.75 | TRPV1 (0.46) | EPHX2TRPV1EPHX1NAAACA1 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |