Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 4/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.39 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4355433 | 0.91 | TSHR (0.43) | SMN1; SMN2NPC1MAPTHSD17B10ALDH1A1 | |
| SCHEMBL4354080 | 0.87 | ALDH1A1 (0.36) | SMN1; SMN2MAPTALDH1A1RAB9ASTK39 | |
| SCHEMBL4351896 | 0.86 | MAPT (0.48) | SMN1; SMN2NPC1MAPTHSD17B10ALDH1A1 | |
| SCHEMBL4348453 | 0.85 | PDE2A (0.42) | SMN1; SMN2MTORLMNAHTT | |
| SCHEMBL4349857 | 0.82 | POLB (0.41) | SMN1; SMN2NPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL4351937 | 0.81 | MAPK1 (0.33) | MAPTALDH1A1MEN1KMT2AGAA | |
| SCHEMBL4350109 | 0.81 | CA1 (0.41) | SMN1; SMN2NPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL4344614 | 0.81 | MAPT (0.40) | SMN1; SMN2NPC1MAPTHSD17B10ALDH1A1 | |
| SCHEMBL4345462 | 0.78 | NPC1 (0.39) | NPC1ALDH1A1RAB9AKMT2ALMNA | |
| SCHEMBL4341765 | 0.77 | KMT2A (0.54) | SMN1; SMN2NPC1MAPTHSD17B10RAB9A |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |