Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30541306 | 0.82 | IRAK4 (0.44) | IRAK4KDM4ETDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28372856 | 0.82 | IRAK4 (0.44) | IRAK4KDM4ETDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL25815818 | 0.74 | NLRP3 (0.37) | NLRP3KDM4ETDP1CYP1A2ALDH1A1 | |
| SCHEMBL1077616 | 0.72 | SMN1; SMN2 (0.55) | KDM4ECYP1A2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL1051991 | 0.72 | SMN1; SMN2 (0.55) | KDM4ECYP1A2ALDH1A1SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL5742023 | 0.71 | SMN1; SMN2 (0.53) | KDM4ECYP1A2ALDH1A1SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL7321879 | 0.71 | SMN1; SMN2 (0.53) | KDM4ECYP1A2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL28372807 | 0.69 | ALDH1A1 (0.41) | NLRP3KDM4ETDP1ALDH1A1TSHR | |
| SCHEMBL30671477 | 0.69 | ALDH1A1 (0.41) | NLRP3KDM4ETDP1ALDH1A1TSHR | |
| SCHEMBL30541322 | 0.69 | ALDH1A1 (0.43) | NLRP3KDM4EALDH1A1TSHRMAPT |
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-2023125182-A1 | PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF | 海思科医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |