Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.67 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | AHR | P35869 | 2/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.56 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.56 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.56 |
| ▸ | FADS1 | O60427 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29768529 | 1.00 | P4HTM (0.67) | P4HTMGRM4HDAC6AHRKDR | |
| SCHEMBL19304494 | 0.81 | KMT2A (0.49) | P4HTMGRM4HDAC6KDRKMT2A | |
| SCHEMBL29768474 | 0.80 | NPC1 (0.76) | P4HTMKMT2AMEN1NPC1RAB9A | |
| SCHEMBL28579555 | 0.80 | NPC1 (0.76) | P4HTMKMT2AMEN1NPC1RAB9A | |
| SCHEMBL2530324 | 0.78 | GRM4 (1.00) | GRM4HDAC6AHRKDRTHRB | |
| SCHEMBL29496401 | 0.78 | GRM4 (1.00) | GRM4HDAC6AHRKDRTHRB | |
| SCHEMBL21595535 | 0.78 | FADS1 (0.67) | P4HTMGRM4HDAC6KMT2AMEN1 | |
| SCHEMBL30763041 | 0.78 | FADS1 (0.67) | P4HTMGRM4HDAC6KMT2AMEN1 | |
| SCHEMBL28595252 | 0.78 | P4HTM (0.58) | P4HTMGRM4HDAC6AHRKDR | |
| SCHEMBL4731965 | 0.76 | GRM4 (0.74) | P4HTMGRM4HDAC6AHRKDR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778154-B | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-112778154-A | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-05-11 | — | — | CN | disclosed |