Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4352185 | 0.89 | EGFR (0.55) | EGFRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4350071 | 0.88 | EGFR (0.59) | EGFRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4343414 | 0.88 | EGFR (0.56) | EGFRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4351852 | 0.87 | EGFR (0.55) | EGFRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4348735 | 0.87 | ALDH3A1 (0.46) | PAX8ALDH1A1MAPTGAAMAPK1 | |
| SCHEMBL4353944 | 0.86 | EGFR (0.52) | EGFRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL4345570 | 0.85 | EGFR (0.49) | EGFRPAX8ALDH1A1MAPTGAA | |
| SCHEMBL4354529 | 0.83 | NOX4 (0.41) | EGFRALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL4357506 | 0.83 | EGFR (0.44) | EGFRALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL4351072 | 0.83 | NOX4 (0.41) | EGFRALDH1A1MAPTGAAKDM4E |
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 5 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-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 |