Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11322517 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL11319927 | 0.85 | ALDH1A1 (0.55) | ALDH1A1LNPEPADRB2MAPTMEN1 | |
| SCHEMBL6575563 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL11326172 | 0.82 | CYP2D6 (0.47) | MAPTLMNATSHRRECQL | |
| SCHEMBL6575607 | 0.78 | CTSL (0.43) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL6572040 | 0.77 | LNPEP (0.45) | ALDH1A1LNPEPTSHRKMT2A | |
| SCHEMBL11549702 | 0.77 | LNPEP (0.45) | ALDH1A1LNPEPTSHRKMT2A | |
| SCHEMBL27400595 | 0.74 | KMT2A (0.47) | ALDH1A1MAPTLMNATSHRMEN1 | |
| SCHEMBL11164715 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ADRB2MAPTLMNATSHR | |
| SCHEMBL29019458 | 0.74 | PPARG (0.46) | ALDH1A1ADRB2 |
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 |