Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9374452 | 0.82 | ACHE (0.55) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL2650733 | 0.80 | ACHE (0.56) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL3424560 | 0.79 | ACHE (0.50) | ACHEALDH1A1 | |
| SCHEMBL23891551 | 0.78 | ACHE (0.58) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL461365 | 0.78 | ACHE (0.58) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL606986 | 0.77 | ACHE (0.62) | ACHEEPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2185194 | 0.77 | ACHE (0.56) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL9023934 | 0.77 | ACHE (0.56) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL29978876 | 0.77 | ACHE (0.56) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL2650736 | 0.77 | ACHE (0.56) | ACHEEPHX1ALDH1A1 |
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-3452478-A1 | ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME | Melinta Therapeutics, Inc. (US) | 2019-03-13 | — | — | EP | disclosed |
| WO-2017193017-A1 | ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME | MELINTA THERAPEUTICS, INC. (US) | 2017-11-09 | — | — | WO | disclosed |