Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.58 |
| ▸ | MMP2 | P08253 | 5/20 | 0.51 |
| ▸ | MMP9 | P14780 | 5/20 | 0.51 |
| ▸ | MMP12 | P39900 | 5/20 | 0.51 |
| ▸ | MMP14 | P50281 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226094 | 0.91 | KMT2A (0.51) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4347108 | 0.90 | KMT2A (0.50) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4349041 | 0.90 | MEN1 (0.50) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4350028 | 0.89 | MEN1 (0.56) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4349243 | 0.87 | MAPT (0.46) | KMT2AMEN1POLBMAPTKDM4E | |
| SCHEMBL4349840 | 0.87 | SLC6A4 (0.48) | KMT2AMEN1POLBMAPTKDM4E | |
| SCHEMBL4351063 | 0.86 | SMN1; SMN2 (0.43) | KMT2AMEN1POLBMAPTKDM4E | |
| SCHEMBL4359446 | 0.86 | MEN1 (0.58) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4353810 | 0.86 | MEN1 (0.58) | KMT2AMEN1POLBMMP2MMP9 | |
| SCHEMBL4345485 | 0.85 | KMT2A (0.55) | KMT2AMEN1POLBMMP2MMP9 |
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 |