Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4354080 | 0.82 | ALDH1A1 (0.36) | MAPK1ACLYALDH1A1GAAMEN1 | |
| SCHEMBL4347618 | 0.82 | PKM (0.39) | ALDH1A1GAAMEN1MAPTKMT2A | |
| SCHEMBL4354101 | 0.81 | SMN1; SMN2 (0.39) | ALDH1A1GAAMEN1MAPTKMT2A | |
| SCHEMBL4355433 | 0.81 | TSHR (0.43) | POLBALDH1A1GAAMEN1MAPT | |
| SCHEMBL4351425 | 0.79 | EPHX2 (0.37) | — | |
| SCHEMBL4341885 | 0.79 | SMN1; SMN2 (0.39) | POLBALDH1A1GAAMEN1KMT2A | |
| SCHEMBL4356000 | 0.78 | GABRA1 (0.37) | POLBRXFP1ACLY | |
| SCHEMBL4348453 | 0.77 | PDE2A (0.42) | — | |
| SCHEMBL4350109 | 0.77 | CA1 (0.41) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL4357469 | 0.76 | MAPK1 (0.38) | MAPK1ALDH1A1GAAMAPT |
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 |