Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349134 | 0.93 | ALDH3A1 (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4342105 | 0.92 | ALDH3A1 (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4345574 | 0.92 | ALDH1A1 (0.49) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4345358 | 0.90 | MAPT (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4354120 | 0.89 | GAA (0.51) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4348735 | 0.88 | ALDH3A1 (0.46) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4346299 | 0.88 | MAPT (0.47) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4346171 | 0.87 | ALDH1A1 (0.51) | ALDH3A1GAAPKMMAPTALDH1A1 | |
| SCHEMBL4354639 | 0.86 | LMNA (0.44) | GAAMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4347830 | 0.86 | ALDH3A1 (0.46) | ALDH3A1GAAPKMMAPTALDH1A1 |
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 |