Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11320285 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11323701 | 0.90 | ALDH1A1 (0.45) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11323705 | 0.90 | ALDH1A1 (0.45) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11335678 | 0.90 | ALDH1A1 (0.51) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11335681 | 0.90 | ALDH1A1 (0.51) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11320026 | 0.86 | EPHX2 (0.38) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11320019 | 0.86 | EPHX2 (0.38) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL11322510 | 0.84 | ADRB2 (0.43) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL11322512 | 0.84 | ADRB2 (0.43) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL11323686 | 0.84 | PTPRB (0.37) | ALDH1A1KDM4EMAPTHPGDALOX15 |
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 |