Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6716459 | 0.80 | KDM4E (0.52) | HPGDLMNACYP2C9CDC25ACDC25B | |
| SCHEMBL6718744 | 0.76 | ALDH1A1 (0.56) | HPGDLMNAHIF1APOLBAR | |
| SCHEMBL20424627 | 0.74 | HPGD (0.68) | HPGDLMNACYP2C9CDC25ACDC25B | |
| SCHEMBL7247250 | 0.72 | ALDH1A1 (0.42) | HPGDLMNAPOLBKDM4EALDH1A1 | |
| SCHEMBL9776114 | 0.71 | SMN1; SMN2 (0.47) | HPGDLMNAPOLBKDM4EALDH1A1 | |
| SCHEMBL9776124 | 0.71 | SMN1; SMN2 (0.47) | HPGDLMNAPOLBKDM4EALDH1A1 | |
| SCHEMBL6714833 | 0.71 | LMNA (0.56) | HPGDLMNACYP2C9CDC25ACDC25B | |
| SCHEMBL22033119 | 0.70 | BLM (0.56) | HPGDLMNAPOLBKDM4EALDH1A1 | |
| Water SCHEMBL11335239 | 0.70 | LMNA (0.55) | HPGDLMNACYP2C9CDC25ACDC25B | |
| SCHEMBL11603287 | 0.70 | ALDH1A1 (0.46) | HPGDLMNACDC25BPOLBKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4271187-A | Substituted phenyl alanine antihypertensive agents | MERCK & CO., INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4206216-A | Antihypertensive N-heterocyclicalanines | MERCK & CO., INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-4170654-A | Antihypertensive compositions containing N-heterocyclicalanines and α- | MERCK & CO., INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4160835-A | Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid | MERCK & CO., INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4156734-A | Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid | MERCK & CO., INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4153715-A | Indolyl amino acids useful as antihypertensive agents | MERCK & CO., INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4065572-A | Amino acids and esters thereof useful as antihypertensive agents | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |