Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM4B | O94953 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL242311 | 0.81 | GABRA1 (0.41) | ALDH1A1CYP1A2KDM4EMAPTGABRA1 | |
| SCHEMBL1130941 | 0.80 | HSD17B10 (0.48) | CHRNB2CHRNA4HSD17B10POLBALDH1A1 | |
| SCHEMBL5786722 | 0.79 | GABRA1 (0.39) | ALDH1A1CYP1A2KDM4EMAPTGABRA1 | |
| Ammonia Solution, Strong SCHEMBL25385979 | 0.79 | GABRA1 (0.39) | ALDH1A1CYP1A2KDM4EMAPTGABRA1 | |
| SCHEMBL5024708 | 0.79 | TSHR (0.44) | HSD17B10ALDH1A1CYP1A2CYP2D6KDM4E | |
| SCHEMBL5024885 | 0.79 | HSD17B10 (0.34) | HSD17B10ALDH1A1KDM4E | |
| SCHEMBL5024878 | 0.79 | HSD17B10 (0.34) | HSD17B10ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL28665184 | 0.78 | GABRA1 (0.38) | ALDH1A1CYP1A2KDM4EMAPTGABRA1 | |
| SCHEMBL5024705 | 0.78 | HSD17B10 (0.33) | CHRNB2CHRNA4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL5024710 | 0.78 | HSD17B10 (0.33) | CHRNB2CHRNA4HSD17B10ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022121805-A1 | FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF | 成都康弘药业集团股份有限公司 | 2022-06-16 | — | — | WO | disclosed |