Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL833730 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| Iodide SCHEMBL30985992 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| Hydrochloric Acid SCHEMBL11419454 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL18682847 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL5948582 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL14580744 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL20298545 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL21166541 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL21689253 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL22198337 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1KDM4E |
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-3147991-A1 | ELECTROLYTE FOR LITHIUM AIR BATTERY AND LITHIUM AIR BATTERY INCLUDING THE SAME | Samsung Electronics Co., Ltd. (KR) | 2017-03-29 | — | — | EP | disclosed |