Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12846506 | 0.88 | SMN1; SMN2 (0.51) | EGFRNOX4MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4345369 | 0.88 | SLC6A4 (0.44) | SLC6A4EGFRNOX4MAPTHPGD | |
| SCHEMBL4345562 | 0.88 | SLC6A2 (0.50) | SLC6A4SLC6A2SLC6A3EGFRNOX4 | |
| SCHEMBL4356200 | 0.88 | NOX4 (0.48) | EGFRNOX4MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4346742 | 0.86 | MAPT (0.45) | EGFRNOX4MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4354072 | 0.86 | SLC6A2 (0.48) | SLC6A4SLC6A2SLC6A3EGFRNOX4 | |
| SCHEMBL4355493 | 0.84 | NOX4 (0.60) | SLC6A4SLC6A2SLC6A3EGFRNOX4 | |
| SCHEMBL4346454 | 0.83 | NOX4 (0.43) | SLC6A4EGFRNOX4MAPTHPGD | |
| SCHEMBL4341606 | 0.82 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3SMN1; SMN2CA12 | |
| SCHEMBL4345796 | 0.82 | EGFR (0.53) | SLC6A4SLC6A2SLC6A3EGFRMAPT |
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 |