Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL4358509 | 0.90 | ALB (0.46) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4351298 | 0.90 | MAPT (0.44) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4345719 | 0.90 | NPC1 (0.48) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4351725 | 0.89 | EGFR (0.53) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4345711 | 0.88 | NPC1 (0.49) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4342281 | 0.86 | MAPT (0.46) | MAPTALDH1A1POLBNPC1IDO1 | |
| SCHEMBL4347601 | 0.86 | NPC1 (0.49) | MAPTALDH1A1POLBNPC1APP | |
| SCHEMBL4350107 | 0.85 | ALDH3A1 (0.49) | MAPTALDH1A1POLBAPPMEN1 | |
| SCHEMBL4356033 | 0.83 | NPC1 (0.49) | MAPTALDH1A1NPC1APPIDO1 | |
| SCHEMBL4354234 | 0.83 | PDE7A (0.46) | MAPTALDH1A1NPC1APPIDO1 |
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 5 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-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 |