Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.59 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | UBE2N | P61088 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PLEC | Q15149 | 1/20 | 0.34 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.34 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4538145 | 0.88 | ABCB1 (0.69) | ABCB1ABCG2PDE4BSTING1ALDH1A1 | |
| SCHEMBL4538147 | 0.88 | ABCB1 (0.69) | ABCB1ABCG2PDE4BSTING1ALDH1A1 | |
| SCHEMBL18543730 | 0.88 | ABCB1 (0.59) | ABCB1ABCG2PDE4BSTING1PSMD14 | |
| SCHEMBL15640200 | 0.87 | ABCB1 (0.68) | ABCB1ABCG2PDE4BSTING1ALDH1A1 | |
| SCHEMBL18543735 | 0.87 | ABCB1 (0.57) | ABCB1ABCG2PDE4BPSMD14APAF1 | |
| SCHEMBL1959563 | 0.84 | ABCB1 (0.59) | ABCB1ABCG2PDE4BPSMD14APAF1 | |
| SCHEMBL1959560 | 0.84 | ABCB1 (0.59) | ABCB1ABCG2PDE4BPSMD14APAF1 | |
| Hydrochloric Acid SCHEMBL1958467 | 0.84 | ABCB1 (0.59) | ABCB1ABCG2PDE4BPSMD14APAF1 | |
| Hydrochloric Acid SCHEMBL1957331 | 0.84 | ABCB1 (0.59) | ABCB1ABCG2PDE4BPSMD14APAF1 | |
| SCHEMBL18543728 | 0.83 | ABCB1 (0.68) | ABCB1ABCG2PDE4BKMT2AALDH1A1 |
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-2332905-B1 | BCRP/ABCG2 Inhibitor | YAKULT HONSHA KK (JP) | 2017-03-01 | — | — | EP | claimed |