Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | ARG1 | P05089 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PLEC | Q15149 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 2/20 | 0.33 |
| ▸ | IGF1R | P08069 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347704 | 0.85 | EGFR (0.37) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL4358645 | 0.82 | EGFR (0.45) | EGFRARG1KDM4CMEN1ALDH1A1 | |
| SCHEMBL21799189 | 0.71 | MEN1 (0.56) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL4359755 | 0.71 | KDM4E (0.38) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL4351154 | 0.71 | MEN1 (0.32) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL11424096 | 0.70 | FFAR1 (0.45) | MEN1KMT2APOLBCA1CA2 | |
| SCHEMBL27729021 | 0.70 | FFAR1 (0.45) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL27729107 | 0.70 | RAB9A (0.38) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL27749765 | 0.69 | KDM4E (0.41) | EGFRMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL23675424 | 0.69 | NPC1 (0.49) | EGFRMEN1ALDH1A1MAPTKMT2A |
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 5 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-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |