Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL3994733 | 0.80 | CYP2D6 (0.55) | CYP2D6PARP3EDNRBEDNRAMAPT | |
| SCHEMBL7952985 | 0.80 | MEN1 (0.41) | CYP2D6EDNRBEDNRAMAPTLMNA | |
| SCHEMBL28225291 | 0.79 | EDNRB (0.44) | EDNRBEDNRAMAPTLMNACYP1A2 | |
| SCHEMBL27818507 | 0.77 | CYP2D6 (0.51) | CYP2D6PARP3EDNRBEDNRAMAPT | |
| SCHEMBL29475772 | 0.76 | CYP2D6 (0.51) | CYP2D6PARP3EDNRBEDNRAMAPT | |
| SCHEMBL13917747 | 0.75 | CYP2D6 (0.50) | CYP2D6PARP3EDNRBEDNRAMAPT | |
| SCHEMBL17262530 | 0.75 | ACHE (0.38) | CYP2D6MAPTLMNATP53CYP1A2 | |
| SCHEMBL19926520 | 0.73 | MEN1 (0.42) | CYP2D6EDNRBEDNRAMAPTLMNA | |
| SCHEMBL15906510 | 0.73 | CYP2D6 (0.47) | CYP2D6EDNRBEDNRAMAPTLMNA | |
| SCHEMBL28055493 | 0.72 | EDNRB (0.46) | CYP2D6EDNRBEDNRAMAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372550-A | Aryl ether and application thereof | 佩洛通治疗公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-105530923-B | Aryl ethers and their use | 佩洛通治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-105530923-A | Aryl ethers and their use | PELOTON THERAPEUTICS INC | 2016-04-27 | — | — | CN | disclosed |