Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 2/20 | 0.32 |
| ▸ | ADH1A | P07327 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL13227039 | 0.98 | ALOX5 (0.33) | CYP1A2ALOX5ADRA1BSHBGALDH1A1 | |
| SCHEMBL15114309 | 0.89 | CYP2D6 (0.30) | — | |
| SCHEMBL27010027 | 0.83 | CYP1A2 (0.39) | CYP1A2ALOX5ADRA1BSHBGADH1C | |
| SCHEMBL24316189 | 0.83 | CYP1A2 (0.39) | CYP1A2ALOX5ADRA1BSHBGADH1C | |
| SCHEMBL24316190 | 0.83 | CYP1A2 (0.39) | CYP1A2ALOX5ADRA1BSHBGADH1C | |
| SCHEMBL27010026 | 0.81 | CYP1A2 (0.35) | CYP1A2ALOX5ADH1CADH1ASIGMAR1 | |
| SCHEMBL13397354 | 0.79 | GNAO1 (0.33) | CYP1A2 | |
| SCHEMBL24818091 | 0.79 | — | — | |
| SCHEMBL20160903 | 0.79 | PIK3CD (0.37) | — | |
| SCHEMBL23792411 | 0.78 | SIGMAR1 (0.32) | ALOX5ADRA1BSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020086965-A9 | POLYMER-LIPIDS AND COMPOSITIONS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2020-07-16 | — | — | WO | disclosed |
| US-7528163-B2 | N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye | MERCK & CO. INC. (US) | 2009-05-05 | — | — | US | disclosed |