Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346978 | 0.90 | MAPT (0.41) | MAPTRAB9AHIF1ASLC6A9ALDH1A1 | |
| SCHEMBL4357506 | 0.87 | EGFR (0.44) | NOX4EGFRMAPTHIF1ASLC6A9 | |
| SCHEMBL4354529 | 0.87 | NOX4 (0.41) | NOX4EGFRMAPTRAB9AHIF1A | |
| SCHEMBL4345804 | 0.86 | MAPT (0.50) | NOX4EGFRMAPTSMN1; SMN2POLB | |
| SCHEMBL4346915 | 0.86 | CYP3A4 (0.46) | NOX4EGFRMAPTALDH1A1LMNA | |
| SCHEMBL4343309 | 0.86 | NOX4 (0.45) | NOX4EGFRMAPTRAB9AHIF1A | |
| SCHEMBL4345414 | 0.86 | NOX4 (0.60) | NOX4EGFRMAPTHIF1ASLC6A9 | |
| SCHEMBL4351090 | 0.85 | LMNA (0.41) | NOX4EGFRMAPTRAB9ASLC6A9 | |
| SCHEMBL4354635 | 0.85 | LMNA (0.44) | MAPTRAB9AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL6230263 | 0.84 | MAPT (0.37) | MAPTRAB9AHIF1ASLC6A9ALDH1A1 |
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 4 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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |