Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10682524 | 0.87 | AR (0.49) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL10682295 | 0.82 | CYP3A4 (0.64) | CYP3A4ALDH1A1TP53MAPTKDM4E | |
| SCHEMBL10681870 | 0.82 | MAPT (0.54) | CYP3A4ALDH1A1TP53MAPTKDM4E | |
| SCHEMBL10682542 | 0.80 | MAPT (0.41) | CYP3A4ALDH1A1TP53MAPTKDM4E | |
| SCHEMBL9138586 | 0.79 | AR (0.72) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL10681056 | 0.79 | CYP3A4 (0.54) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL10684580 | 0.78 | SIGMAR1 (0.52) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL10686049 | 0.77 | CYP3A4 (0.51) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL10683600 | 0.76 | AR (0.55) | ARCYP3A4ALDH1A1TP53MAPT | |
| SCHEMBL11651074 | 0.75 | CYP3A4 (0.69) | ARCYP3A4ALDH1A1TP53MAPT |
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 3 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 |
| US-4376123-A | Hexahydroazepinyloxy-chromones useful as antidepressants | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-03-08 | — | — | US | disclosed |