Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 3/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4355801 | 0.87 | EGFR (0.48) | EGFRERBB2ALDH1A1NPSR1UBE2M | |
| SCHEMBL4351073 | 0.82 | HTT (0.40) | EGFRERBB2NPSR1UBE2MDCUN1D1 | |
| SCHEMBL4342217 | 0.78 | EGFR (0.38) | EGFRERBB2UBE2MDCUN1D1GAA | |
| SCHEMBL4349798 | 0.77 | ALDH1A1 (0.46) | EGFRERBB2ALDH1A1NPSR1UBE2M | |
| SCHEMBL4341765 | 0.77 | KMT2A (0.54) | NPSR1HTTGAALMNADHODH | |
| SCHEMBL4349474 | 0.76 | EPHX1 (0.58) | ALDH1A1HTTLMNAMEN1KMT2A | |
| SCHEMBL4349894 | 0.76 | GAA (0.40) | ALDH1A1HTTGAALMNADHODH | |
| SCHEMBL4354101 | 0.76 | SMN1; SMN2 (0.39) | EGFRERBB2ALDH1A1HTTGAA | |
| SCHEMBL4345339 | 0.76 | ALDH1A1 (0.49) | EGFRERBB2ALDH1A1NPSR1UBE2M | |
| SCHEMBL4345437 | 0.74 | EGFR (0.48) | EGFRERBB2ALDH1A1NPSR1MTOR |
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 |