Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31428407 | 1.00 | ABCG2 (0.43) | ABCG2GAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24975485 | 0.90 | ABCG2 (0.47) | ABCG2GAATP53ABCB1KDM4E | |
| SCHEMBL31428518 | 0.90 | ABCG2 (0.47) | ABCG2GAATP53ABCB1KDM4E | |
| SCHEMBL31428903 | 0.88 | ABCG2 (0.46) | ABCG2GAATP53ABCB1KDM4E | |
| SCHEMBL24976143 | 0.88 | ABCG2 (0.46) | ABCG2GAATP53ABCB1KDM4E | |
| SCHEMBL24975497 | 0.86 | ABCG2 (0.41) | ABCG2SLC6A2SLC6A4SLC6A3ABCB1 | |
| SCHEMBL31428862 | 0.86 | ABCG2 (0.41) | ABCG2SLC6A2SLC6A4SLC6A3ABCB1 | |
| SCHEMBL24975796 | 0.85 | MAPT (0.51) | TP53KDM4EMAPTNPC1ALDH1A1 | |
| SCHEMBL31428448 | 0.85 | MAPT (0.51) | TP53KDM4EMAPTNPC1ALDH1A1 | |
| SCHEMBL24976116 | 0.85 | CTRC (0.50) | GAATP53KDM4EMAPTNPC1 |
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-2023008577-A1 | RAS/RAF BINDING INHIBITOR COMPOUND | 国立大学法人神戸大学 | 2023-02-02 | — | — | WO | disclosed |