Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351702 | 0.86 | ALDH1A1 (0.52) | ALDH1A1PTPN7KMT2AMEN1KDM4E | |
| SCHEMBL4358300 | 0.85 | ALDH1A1 (0.52) | ALDH1A1PTPN7KMT2AMEN1KDM4E | |
| SCHEMBL4346283 | 0.81 | ALDH1A1 (0.49) | ALDH1A1PTPN7KMT2AMEN1KDM4E | |
| SCHEMBL27782774 | 0.80 | RECQL (0.62) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL2270307 | 0.80 | ESRRG (0.53) | ALDH1A1KMT2AMEN1KDM4EMAPT | |
| SCHEMBL4343691 | 0.79 | EPHX1 (0.60) | ALDH1A1KMT2AMEN1MAPTHTT | |
| Hydrochloric Acid SCHEMBL322141 | 0.77 | MEN1 (0.49) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| SCHEMBL27519540 | 0.77 | ALDH1A1 (0.82) | ALDH1A1PTPN7KMT2AMEN1KDM4E | |
| SCHEMBL6670113 | 0.76 | ALDH1A1 (0.51) | ALDH1A1PTPN7KDM4EMAPTHTT | |
| SCHEMBL6915485 | 0.76 | ALDH1A1 (0.60) | ALDH1A1PTPN7KMT2AMEN1KDM4E |
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 3 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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |