Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MMP2 | P08253 | 5/20 | 0.49 |
| ▸ | MMP9 | P14780 | 5/20 | 0.49 |
| ▸ | MMP12 | P39900 | 5/20 | 0.49 |
| ▸ | MMP14 | P50281 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350040 | 0.89 | KMT2A (0.58) | MEN1KMT2APOLBMMP2MMP9 | |
| SCHEMBL4345804 | 0.87 | MAPT (0.50) | MEN1KMT2APOLBMAPTKDM4E | |
| SCHEMBL4346915 | 0.87 | CYP3A4 (0.46) | MEN1KMT2APOLBMAPTKDM4E | |
| SCHEMBL4343309 | 0.87 | NOX4 (0.45) | MEN1KMT2AMAPTKDM4ECYP3A4 | |
| SCHEMBL4359266 | 0.87 | MEN1 (0.56) | MEN1KMT2APOLBMMP2MMP9 | |
| SCHEMBL4342047 | 0.87 | MEN1 (0.56) | MEN1KMT2APOLBMMP2MMP9 | |
| SCHEMBL4347478 | 0.84 | NOX4 (0.59) | MEN1KMT2APOLBMMP2MMP9 | |
| SCHEMBL4345390 | 0.84 | MAPT (0.51) | MEN1KMT2APOLBMAPTKDM4E | |
| SCHEMBL4351072 | 0.83 | NOX4 (0.41) | MEN1KMT2APOLBMAPTKDM4E | |
| SCHEMBL4352963 | 0.82 | KMT2A (0.56) | MEN1KMT2APOLBMMP2MMP9 |
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 |