Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347275 | 0.88 | PRMT1 (0.42) | ACHEPRMT1CA1ITGB2ICAM1 | |
| SCHEMBL4348016 | 0.85 | MEN1 (0.41) | ACHECA1MAOBMAPTALDH1A1 | |
| SCHEMBL4358682 | 0.85 | SLC6A4 (0.46) | ITGB2ICAM1ITGALMAOBMAPT | |
| SCHEMBL4347048 | 0.84 | CYP2C9 (0.47) | PRMT1ITGB2ICAM1ITGALPRMT3 | |
| SCHEMBL4352803 | 0.84 | SMN1; SMN2 (0.43) | ACHEMAPTALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL4351152 | 0.83 | SLC6A4 (0.50) | ACHECA1ITGB2ICAM1ITGAL | |
| SCHEMBL6229046 | 0.80 | CA1 (0.37) | ACHEPRMT1CA1ITGB2ICAM1 | |
| SCHEMBL4348527 | 0.80 | MAPT (0.46) | ACHEPRMT1CA1ITGB2ICAM1 | |
| SCHEMBL4350338 | 0.80 | MAPT (0.46) | MAOBMAPTALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL4344018 | 0.78 | DHODH (0.38) | ACHEPRMT1CA1ITGB2ICAM1 |
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 |