Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX4 | Q9NPH5 | 3/20 | 0.60 |
| ▸ | EGFR | P00533 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.42 |
| ▸ | PTPRG | P23470 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345406 | 0.89 | NOX4 (0.62) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4358462 | 0.88 | NOX4 (0.70) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4355493 | 0.87 | NOX4 (0.60) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4353421 | 0.87 | NOX4 (0.65) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4345390 | 0.87 | MAPT (0.51) | NOX4EGFRMAPTALDH1A1MEN1 | |
| SCHEMBL4357515 | 0.85 | NOX4 (0.62) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4345601 | 0.84 | MAPT (0.54) | NOX4EGFRMAPTALDH1A1MEN1 | |
| SCHEMBL4346742 | 0.84 | MAPT (0.45) | NOX4EGFRMAPTMEN1KMT2A | |
| SCHEMBL4345414 | 0.83 | NOX4 (0.60) | NOX4EGFRMAPTRGS12ALDH1A1 | |
| SCHEMBL4347478 | 0.82 | NOX4 (0.59) | NOX4EGFRMAPTRGS12ALDH1A1 |
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 6 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-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |