Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 1/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342196 | 0.87 | EGFR (0.41) | EGFRERBB2ALDH1A1NPSR1DHODH | |
| SCHEMBL4349798 | 0.86 | ALDH1A1 (0.46) | EGFRERBB2ALDH1A1NPSR1MEN1 | |
| SCHEMBL4345339 | 0.84 | ALDH1A1 (0.49) | EGFRERBB2ALDH1A1NPSR1MTOR | |
| SCHEMBL4345437 | 0.83 | EGFR (0.48) | EGFRERBB2ALDH1A1NPSR1MTOR | |
| SCHEMBL4354016 | 0.83 | EGFR (0.48) | EGFRERBB2ALDH1A1NPSR1STK39 | |
| SCHEMBL4341987 | 0.80 | EGFR (0.46) | EGFRERBB2ALDH1A1NPSR1MEN1 | |
| SCHEMBL4351304 | 0.77 | ABCC1 (0.39) | EGFRERBB2ALDH1A1NPSR1MEN1 | |
| SCHEMBL3299626 | 0.77 | MTOR (0.55) | ALDH1A1NPSR1MTORLMNAUBE2M | |
| SCHEMBL4343719 | 0.76 | ACHE (0.47) | EGFRERBB2ALDH1A1NPSR1MTOR | |
| SCHEMBL4351338 | 0.76 | ALOX15 (0.59) | NPSR1MEN1KMT2AGAAMAPT |
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 4 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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |