Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 4/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11742507 | 0.81 | ALDH1A1 (0.41) | ALDH1A1DAO | |
| SCHEMBL11573340 | 0.72 | CYP2C9 (0.42) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL10733624 | 0.69 | CALM1 (0.50) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL11783710 | 0.67 | CYP1A2 (0.39) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL2339223 | 0.67 | CALM1 (0.42) | CALM1CYP2C9ALDH1A1LTB4RAOC3 | |
| SCHEMBL27623517 | 0.66 | MAOA (0.57) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL305339 | 0.66 | CALM1 (0.52) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL29249557 | 0.65 | MAPK1 (0.56) | CALM1CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL28770326 | 0.64 | CALM1 (0.39) | CALM1CYP2C9ALDH1A1DAOSORT1 | |
| SCHEMBL196532 | 0.63 | MAOA (0.44) | CALM1DAOSORT1MAOAMAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE30420-E | DIURETIC, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-10-21 | — | — | US | disclosed |
| US-4112227-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |
| US-4056533-A | HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |
| US-4000294-A | DIURESIS OR SALURESIS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3992404-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |
| US-3952008-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |