Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11613140 | 0.72 | SMN1; SMN2 (0.44) | MTNR1AMTNR1BLMNAALDH1A1HPGD | |
| SCHEMBL11617983 | 0.68 | MTNR1A (0.37) | MTNR1AMTNR1BLMNAALDH1A1HPGD | |
| SCHEMBL11614313 | 0.66 | NPC1 (0.44) | MTNR1AMTNR1BLMNAALDH1A1HPGD | |
| Acetic Acid SCHEMBL27633889 | 0.65 | MTNR1A (0.62) | MTNR1AMTNR1BGAAMAPTCYP1A2 | |
| SCHEMBL1418060 | 0.63 | MTNR1A (0.59) | MTNR1AMTNR1BLMNAALDH1A1HPGD | |
| Acetic Acid Phenyl Ester SCHEMBL35500 | 0.62 | ELANE (0.72) | LMNAALDH1A1HPGDGAAMAPT | |
| Acetic Acid Phenyl Ester SCHEMBL6422166 | 0.62 | ELANE (0.72) | LMNAALDH1A1HPGDGAAMAPT | |
| SCHEMBL9713748 | 0.61 | MTNR1A (0.53) | MTNR1AMTNR1BALDH1A1HPGDMAPT | |
| SCHEMBL896832 | 0.61 | MTNR1A (0.53) | MTNR1AMTNR1BLMNAALDH1A1HPGD | |
| SCHEMBL9713753 | 0.61 | MTNR1A (0.53) | MTNR1AMTNR1BALDH1A1HPGDMAPT |
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-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |