Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | 0.84 | POLB (0.56) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4347722 | 0.84 | HTT (0.54) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4342223 | 0.83 | HTT (0.59) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4344564 | 0.83 | HTT (0.53) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4345605 | 0.79 | HTT (0.54) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL27761091 | 0.73 | SMN1; SMN2 (0.58) | HTTMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4355870 | 0.72 | HTT (0.56) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4345688 | 0.72 | HTT (0.56) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4352226 | 0.72 | POLB (0.46) | HTTPOLBMAPTALDH1A1MEN1 | |
| SCHEMBL4358600 | 0.72 | POLB (0.52) | HTTPOLBMAPTALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| 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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |