Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.44 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.42 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4350071 | 0.91 | EGFR (0.59) | EGFRALDH1A1MAPTALDH3A1PDE7A | |
| SCHEMBL4343414 | 0.90 | EGFR (0.56) | EGFRALDH1A1MAPTALDH3A1GAA | |
| SCHEMBL4345796 | 0.90 | EGFR (0.53) | EGFRALDH1A1MAPTALDH3A1POLB | |
| SCHEMBL4341570 | 0.90 | EGFR (0.53) | EGFRALDH1A1MAPTALDH3A1POLB | |
| SCHEMBL4352185 | 0.89 | EGFR (0.55) | EGFRALDH1A1MAPTALDH3A1POLB | |
| SCHEMBL4351725 | 0.88 | EGFR (0.53) | EGFRALDH1A1MAPTPOLBPDE7A | |
| SCHEMBL4358250 | 0.87 | EGFR (0.57) | EGFRALDH1A1MAPTALDH3A1POLB | |
| SCHEMBL4354926 | 0.87 | EGFR (0.52) | EGFRALDH1A1MAPTALDH3A1PDE7A | |
| SCHEMBL4353944 | 0.87 | EGFR (0.52) | EGFRALDH1A1MAPTALDH3A1POLB | |
| SCHEMBL4345574 | 0.85 | ALDH1A1 (0.49) | EGFRALDH1A1MAPTALDH3A1POLB |
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 |