Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065228 | 0.79 | PRKCA (0.46) | MEN1KMT2AGAATP53ABL1 | |
| SCHEMBL21943638 | 0.78 | BRAF (0.54) | ALDH1A1LMNAGAAPOLBABL1 | |
| SCHEMBL21975713 | 0.77 | PARP10 (0.38) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL21975122 | 0.75 | RAB9A (0.41) | ALDH1A1NPSR1MEN1KMT2AGAA | |
| SCHEMBL21943013 | 0.73 | MAPK14 (0.54) | ALDH1A1MEN1KMT2ALMNATP53 | |
| SCHEMBL21974822 | 0.71 | TGFBR1 (0.38) | CYP1A2CYP3A4 | |
| SCHEMBL21943070 | 0.70 | MEN1 (0.53) | ALDH1A1MEN1KMT2ALMNAPOLB | |
| SCHEMBL21975140 | 0.69 | ADORA1 (0.39) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL21974789 | 0.68 | RAB9A (0.41) | ALDH1A1NPSR1MEN1KMT2AGAA | |
| SCHEMBL22066065 | 0.67 | CYP3A4 (0.33) | ALDH1A1LMNAGAARAB9APOLB |
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 |