Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 10/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GHSR | Q92847 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598927 | 0.99 | EPHX1 (0.57) | EPHX1EPHX2ALDH1A1HTTSLC6A3 | |
| SCHEMBL8601321 | 0.99 | EPHX1 (0.57) | EPHX1EPHX2ALDH1A1HTTSLC6A3 | |
| SCHEMBL27782790 | 0.96 | EPHX1 (0.50) | EPHX1EPHX2ALDH1A1HTTSLC6A3 | |
| SCHEMBL6670113 | 0.89 | ALDH1A1 (0.51) | EPHX1EPHX2ALDH1A1HTTSLC6A3 | |
| SCHEMBL4356323 | 0.86 | SMN1; SMN2 (0.62) | ALDH1A1HTTMAPTMEN1LMNA | |
| SCHEMBL27782815 | 0.82 | MAPT (0.67) | ALDH1A1HTTMAPTMEN1LMNA | |
| SCHEMBL8391695 | 0.81 | EPHX1 (0.67) | EPHX1EPHX2ALDH1A1HTTMAPT | |
| SCHEMBL4346283 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HTTSLC6A3MAPTMEN1 | |
| SCHEMBL10033424 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTMEN1NPC1LMNA | |
| SCHEMBL9770215 | 0.79 | ALDH1A1 (0.65) | EPHX1EPHX2ALDH1A1HTTMAPT |
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 |