Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27740756 | 0.88 | HPGDS (0.50) | HPGDSSLC6A2SLC6A4SLC6A3NQO1 | |
| SCHEMBL28120216 | 0.85 | HPGDS (0.56) | HPGDSNQO1PDGFRBPDGFRAALDH1A1 | |
| SCHEMBL6990269 | 0.81 | HPGDS (0.77) | HPGDSNQO1PDGFRBPDGFRAALDH1A1 | |
| Hydrochloric Acid SCHEMBL29902485 | 0.80 | HPGDS (0.75) | HPGDSNQO1PDGFRBPDGFRAALDH1A1 | |
| SCHEMBL17442542 | 0.78 | HPGDS (0.44) | HPGDSALDH1A1CYP3A4MAP4K4 | |
| SCHEMBL6189068 | 0.78 | SLC6A2 (0.58) | HPGDSSLC6A2SLC6A4SLC6A3NQO1 | |
| SCHEMBL27399910 | 0.74 | EGFR (0.65) | PDGFRBPDGFRAMAPTEGFR | |
| SCHEMBL28158355 | 0.74 | PDGFRB (0.40) | PDGFRBPDGFRAALDH1A1RAB9AKMT2A | |
| SCHEMBL15753147 | 0.73 | HPGDS (0.47) | HPGDSNQO1ALDH1A1MAPTMEN1 | |
| SCHEMBL28863299 | 0.73 | NQO1 (0.49) | HPGDSSLC6A2SLC6A4SLC6A3NQO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744446-B | Heteroaryl compound and its application in drug | 广东东阳光药业有限公司 | 2019-06-25 | — | — | CN | disclosed |