Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 5/20 | 0.62 |
| ▸ | HTT | P42858 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PPIA | P62937 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782815 | 0.96 | MAPT (0.67) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL4354492 | 0.86 | EPHX1 (0.55) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL8601321 | 0.85 | EPHX1 (0.57) | ALDH1A1MAPTHTT | |
| SCHEMBL8598927 | 0.85 | EPHX1 (0.57) | ALDH1A1MAPTHTT | |
| SCHEMBL27782790 | 0.82 | EPHX1 (0.50) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL17956785 | 0.80 | SMN1; SMN2 (0.90) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL17956771 | 0.80 | SMN1; SMN2 (0.90) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL4347091 | 0.80 | MAPT (0.68) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL4350097 | 0.78 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL4346126 | 0.78 | LMNA (0.61) | SMN1; SMN2ALDH1A1MAPTLMNAHTT |
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 |