Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.55 |
| ▸ | TNKS | O95271 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10681161 | 0.93 | ABCB1 (0.56) | TNKSTP53CYP3A4MAPTROCK1 | |
| SCHEMBL10683812 | 0.81 | CYP19A1 (0.54) | CYP19A1TNKSTP53CYP3A4SMN1; SMN2 | |
| SCHEMBL10680679 | 0.81 | MAOA (0.58) | CYP19A1TNKSTP53CYP3A4SMN1; SMN2 | |
| SCHEMBL10683600 | 0.80 | AR (0.55) | TP53CYP3A4SMN1; SMN2MEN1MAPT | |
| SCHEMBL10683624 | 0.79 | NPC1 (0.57) | TP53CYP3A4SMN1; SMN2MEN1MAPT | |
| SCHEMBL10684459 | 0.78 | ABCG2 (0.53) | CYP19A1TNKSSIGMAR1ABCG2 | |
| SCHEMBL10682295 | 0.76 | CYP3A4 (0.64) | CYP19A1TNKSTP53CYP3A4SMN1; SMN2 | |
| SCHEMBL10681965 | 0.76 | MEN1 (0.57) | CYP19A1TNKSTP53CYP3A4SMN1; SMN2 | |
| SCHEMBL10679051 | 0.75 | CYP19A1 (0.51) | CYP19A1TNKSTP53CYP3A4SMN1; SMN2 | |
| SCHEMBL10680511 | 0.74 | ROCK1 (0.49) | TP53CYP3A4SMN1; SMN2MEN1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4780478-A | Aminopropoxy-chromones useful as antidepressants | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) | 1988-10-25 | — | — | US | disclosed |
| US-4508732-A | Basic ethers useful as antidepressant agents | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-02 | — | — | US | disclosed |
| EP-0031885-B1 | BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MERCK PATENT GmbH (DE) | 1984-06-27 | — | — | EP | disclosed |
| US-4376123-A | Hexahydroazepinyloxy-chromones useful as antidepressants | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-03-08 | — | — | US | disclosed |
| EP-0031885-A1 | Basic ethers, pharmaceutical compositions containing them and process for their preparation | MERCK PATENT GmbH (DE) | 1981-07-15 | — | — | EP | disclosed |