Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7665646 | 0.81 | CYP3A4 (0.45) | ALDH1A1KDM4ESLC22A12CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL28527606 | 0.79 | CYP3A4 (0.44) | ALDH1A1KDM4ESLC22A12CYP3A4CYP2C9 | |
| SCHEMBL8049000 | 0.78 | KDM4E (0.58) | ALDH1A1KDM4EEGFR | |
| SCHEMBL823824 | 0.78 | GABRA1 (0.46) | ALDH1A1KDM4EPOLBTDO2KIF11 | |
| SCHEMBL25755091 | 0.77 | KIF11 (0.50) | ALDH1A1KDM4ESLC22A12NPC1RAB9A | |
| SCHEMBL13547852 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9ACYP2C9 | |
| SCHEMBL12266458 | 0.75 | PIK3CB (0.51) | ALDH1A1SLC22A12CYP3A4CYP2C9SLC22A6 | |
| SCHEMBL14005522 | 0.75 | XDH (0.42) | KDM4ESLC22A12POLBXDHTDO2 | |
| SCHEMBL14005526 | 0.75 | SLC22A12 (0.45) | ALDH1A1SLC22A12NPC1RAB9ACYP3A4 | |
| SCHEMBL2739663 | 0.75 | HCAR2 (0.40) | SLC22A12CYP3A4POLBKIF11GABRA1 |
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-2020102098-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |