Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 8/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6230126 | 0.94 | CTSD (0.44) | CTSDHDAC6NOTUMTRPV1EGLN1 | |
| SCHEMBL4347648 | 0.90 | GAA (0.38) | CTSDHDAC6SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL6230128 | 0.88 | CTSD (0.39) | CTSDHDAC6KDRNOTUMALOX12 | |
| SCHEMBL6230133 | 0.86 | CTSD (0.37) | CTSDHDAC6KDRNOTUMTRPV1 | |
| SCHEMBL4350092 | 0.86 | CTSD (0.38) | CTSDHDAC6KDRSMN1; SMN2L3MBTL1 | |
| SCHEMBL6223808 | 0.85 | CTSD (0.39) | CTSDHDAC6KDRNOTUMNPC1 | |
| SCHEMBL4349874 | 0.84 | GAA (0.33) | CTSDHDAC6SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL4348911 | 0.84 | MEN1 (0.39) | CTSDSMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL6227080 | 0.84 | GAA (0.36) | CTSDHDAC6SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL4346923 | 0.83 | SLC6A4 (0.43) | CTSDHDAC6SMN1; SMN2GAAMEN1 |
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 |