Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.32 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27632109 | 0.83 | LOXL2 (0.39) | LOXL2IDO1ADORA2BADORA2AMAP4K4 | |
| SCHEMBL12093203 | 0.79 | LOXL2 (0.43) | LOXL2IDO1ADORA2BADORA2AMAP4K4 | |
| SCHEMBL84449 | 0.77 | LOXL2 (0.42) | LOXL2IDO1ADORA2BADORA2AMAP4K4 | |
| SCHEMBL21900303 | 0.77 | LOXL2 (0.47) | LOXL2IDO1ADORA2BADORA2AMAP4K4 | |
| SCHEMBL30118429 | 0.77 | CTSA (0.39) | LOXL2MAPK1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL31550398 | 0.74 | IDO1 (0.36) | IDO1 | |
| SCHEMBL17000193 | 0.74 | LOXL2 (0.39) | LOXL2IDO1ADORA2BADORA2AMAP4K4 | |
| SCHEMBL20771993 | 0.74 | LOXL2 (0.44) | LOXL2IDO1ADORA2B | |
| SCHEMBL4340117 | 0.74 | LOXL2 (0.44) | LOXL2IDO1ADORA2B | |
| SCHEMBL20508509 | 0.74 | LOXL2 (0.44) | LOXL2IDO1ADORA2B |
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 |