Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | POLB | P06746 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.61 |
| ▸ | MEN1 | O00255 | 7/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4341621 | 0.86 | KDM4E (0.66) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL4343934 | 0.84 | TRPV1 (0.65) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL4346828 | 0.81 | DDX3X (0.66) | MAPTPOLBKMT2AMEN1HTT | |
| SCHEMBL22588891 | 0.80 | KDM4E (0.74) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL21751022 | 0.80 | KDM4E (0.79) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL4347056 | 0.80 | TRPV1 (0.66) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL4351601 | 0.79 | MAOA (0.59) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL1276481 | 0.79 | KDM4E (0.82) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL30393282 | 0.79 | KDM4E (0.82) | MAPTKDM4EPOLBKMT2AMEN1 | |
| SCHEMBL4345368 | 0.79 | RAB9A (0.65) | MAPTKDM4EPOLBKMT2AMEN1 |
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 |