Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24042731 | 0.80 | CYP3A4 (0.33) | KDM5BCYP3A4ALOX5TSHRKDM4E | |
| SCHEMBL6275254 | 0.79 | KDM5B (0.53) | KDM5BCA2HIF1A | |
| SCHEMBL606948 | 0.79 | — | — | |
| SCHEMBL10893480 | 0.77 | ALDH1A1 (0.48) | KDM5BKDM4EFFAR3LCKFYN | |
| SCHEMBL204242 | 0.73 | ALDH1A1 (0.45) | CYP3A4ALOX5TSHRKDM4ECA2 | |
| SCHEMBL6982582 | 0.71 | — | — | |
| SCHEMBL12063388 | 0.71 | HTT (0.41) | CYP3A4ALOX5TSHRKDM4ENFKB1 | |
| SCHEMBL12464960 | 0.71 | ALDH1A1 (0.43) | CYP3A4ALOX5TSHRKDM4ECA2 | |
| SCHEMBL23735488 | 0.69 | KDM4E (0.44) | CYP3A4ALOX5TSHRKDM4ECA2 | |
| SCHEMBL8396318 | 0.69 | — | — |
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-111465410-A | Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine | H.隆德贝克有限公司 | 2020-07-28 | — | — | CN | disclosed |