Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL21264604 | 0.86 | NOS1 (0.33) | NOS1 | |
| SCHEMBL18938794 | 0.84 | CYP1A2 (0.35) | C1RALDH1A1CYP2A6CD44CYP1A2 | |
| SCHEMBL22357733 | 0.83 | CD44 (0.33) | C1RALDH1A1CYP2A6CD44CYP1A2 | |
| SCHEMBL3395495 | 0.81 | CYP2A6 (0.43) | ALDH1A1CYP2A6CD44CYP1A2NOS3 | |
| SCHEMBL22357717 | 0.75 | NPC1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL22357795 | 0.75 | ACHE (0.39) | ACHE | |
| SCHEMBL22357689 | 0.75 | GAA (0.43) | C1RALDH1A1CYP1A2TSHR | |
| SCHEMBL20110472 | 0.75 | L3MBTL1 (0.50) | ALDH1A1CYP2A6CD44CYP1A2HTR7 | |
| SCHEMBL13312929 | 0.73 | CYP2A6 (0.36) | ALDH1A1CYP2A6CD44CYP1A2HTR7 | |
| SCHEMBL22237885 | 0.71 | SRC (0.36) | ALDH1A1CYP2A6CD44CYP1A2HTR7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3526226-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2018069273-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | WO | disclosed |