Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL4351212 | 0.82 | POLB (0.56) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL9355759 | 0.81 | HTT (0.53) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4347722 | 0.81 | HTT (0.54) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4351163 | 0.79 | HTT (0.58) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4343493 | 0.79 | HTT (0.59) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4343700 | 0.79 | HTT (0.50) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4358256 | 0.76 | HTT (0.47) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL12404443 | 0.75 | SMN1; SMN2 (0.71) | HTTSMN1; SMN2ALDH1A1MEN1GAA | |
| SCHEMBL4351130 | 0.75 | KDM4E (0.45) | HTTALDH1A1MEN1GAAKMT2A | |
| SCHEMBL9355733 | 0.75 | MAOB (0.53) | HTTSMN1; SMN2ALDH1A1MEN1GAA |
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 4 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 |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |