Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 5/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL4342281 | 0.94 | MAPT (0.46) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4351067 | 0.90 | MAPT (0.47) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4343705 | 0.90 | TBXA2R (0.46) | MAPTALDH1A1NPC1PDE7AMEN1 | |
| SCHEMBL4354234 | 0.89 | PDE7A (0.46) | MAPTALDH1A1NPC1PDE7AIDO1 | |
| SCHEMBL4347132 | 0.89 | MAPT (0.43) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4352865 | 0.88 | NPC1 (0.44) | MAPTALDH1A1NPC1PDE7AIDO1 | |
| SCHEMBL4351108 | 0.86 | NPC1 (0.42) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4344193 | 0.85 | NPC1 (0.41) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4354553 | 0.85 | NPC1 (0.44) | MAPTALDH1A1POLBNPC1PDE7A | |
| SCHEMBL4342243 | 0.84 | TBXA2R (0.46) | MAPTALDH1A1IDO1MEN1KMT2A |
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 |