Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 9/20 | 0.50 |
| ▸ | BCHE | P06276 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | GNA15 | P30679 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347926 | 0.90 | FFAR1 (0.52) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4346306 | 0.90 | FFAR1 (0.59) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4359443 | 0.88 | MAPT (0.62) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4349242 | 0.87 | FFAR1 (0.47) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4356184 | 0.85 | KDM4E (0.55) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4350844 | 0.84 | HTT (0.55) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4354025 | 0.84 | KDM4E (0.54) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29239847 | 0.84 | MAPT (0.55) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4343612 | 0.80 | ALDH1A1 (0.50) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6693255 | 0.79 | MAPT (0.71) | MAPTMEN1KMT2AKDM4EALDH1A1 |
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 |