Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 2/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536748 | 1.00 | GPR35 (0.43) | GPR35ALDH1A1CA1CA2CA9 | |
| SCHEMBL14354727 | 0.84 | GPR35 (0.44) | GPR35ALDH1A1CA1CA2CA9 | |
| SCHEMBL9400489 | 0.81 | HSPA5 (0.58) | ALDH1A1CA1CA2CA9NPC1 | |
| SCHEMBL11594811 | 0.81 | TDP1 (0.48) | GPR35ALDH1A1CA1CA2CA9 | |
| SCHEMBL11052280 | 0.79 | THRB (0.52) | ALDH1A1CA1CA2CA9NPC1 | |
| SCHEMBL28667961 | 0.79 | ALDH1A1 (0.49) | GPR35ALDH1A1CA1CA2CA9 | |
| SCHEMBL18329034 | 0.77 | WDR5 (0.40) | GPR35ALDH1A1MAPTHSD17B10WDR5 | |
| SCHEMBL14741970 | 0.77 | KMT2A (0.50) | GPR35NPC1RAB9AWDR5HTT | |
| SCHEMBL14135427 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CA1CA2CA9NPC1 | |
| SCHEMBL879030 | 0.76 | MAPK1 (0.64) | ALDH1A1CA1CA2CA9NPC1 |
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-3967687-A1 | SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) | 2022-03-16 | — | — | EP | disclosed |