Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 3/20 | 0.49 |
| ▸ | PLK3 | Q9H4B4 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9337724 | 0.90 | PLK1 (0.62) | PLK1PLK3AGTR1SMN1; SMN2NPC1 | |
| SCHEMBL9337467 | 0.86 | IDH1 (0.45) | — | |
| SCHEMBL9339133 | 0.83 | TSHR (0.47) | PLK1PLK3TSHRALDH1A1NPC1 | |
| SCHEMBL9533553 | 0.82 | AGTR1 (0.55) | AGTR1 | |
| SCHEMBL9339096 | 0.77 | AGTR1 (0.54) | APOBEC3AAPOBEC3GAGTR1SMN1; SMN2MAPT | |
| SCHEMBL13719210 | 0.76 | TSHR (0.72) | CYP1A2CYP2C19CYP2D6TSHRAPOBEC3A | |
| SCHEMBL9336977 | 0.75 | ESR1 (0.42) | AGTR1MAPK1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL9340928 | 0.73 | AGTR1 (0.43) | AGTR1 | |
| SCHEMBL9339131 | 0.73 | — | — | |
| SCHEMBL9532259 | 0.72 | AGTR1 (0.67) | AGTR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5332750-A | Treatment of hypertension, aldosteronism, cardiac insufficienc y | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-07-26 | — | — | US | disclosed |
| EP-0530702-A1 | 1,2-dihydro-2-oxopyridines as angiotensin II antagonists | MERCK PATENT GmbH (DE) | 1993-03-10 | — | — | EP | disclosed |