Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21975695 | 0.84 | MAPT (0.34) | MEN1KMT2AMAPTMAPK1LMNA | |
| SCHEMBL21975105 | 0.76 | MEN1 (0.40) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL21943374 | 0.73 | BRAF (0.54) | — | |
| SCHEMBL21974789 | 0.71 | RAB9A (0.41) | MEN1KMT2AALDH1A1MAPTMAPK1 | |
| SCHEMBL21974793 | 0.63 | KDR (0.39) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL21974932 | 0.63 | PIK3CA (0.35) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL3175569 | 0.61 | PIK3CA (0.40) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL14428146 | 0.57 | LTA4H (0.45) | MEN1KMT2AALDH1A1CYP2C19TSHR | |
| SCHEMBL18638334 | 0.56 | ERN1 (0.39) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL9228069 | 0.56 | GAA (0.46) | MEN1CYP1A2KMT2AUSP2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3647313-A1 | SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Xiamen University (CN) | 2020-05-06 | — | — | EP | disclosed |