Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | UBASH3B | Q8TF42 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 9/20 | 0.41 |
| ▸ | IL2 | P60568 | 9/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6714833 | 0.82 | LMNA (0.56) | LMNAHPGDCYP2C9KDM4EALDH1A1 | |
| Water SCHEMBL11335239 | 0.81 | LMNA (0.55) | LMNAHPGDCYP2C9KDM4EALDH1A1 | |
| SCHEMBL6133113 | 0.77 | LMNA (0.53) | LMNAITGB1ITGA4ITGB3ITGA2B | |
| SCHEMBL6133112 | 0.77 | LMNA (0.53) | LMNAITGB1ITGA4ITGB3ITGA2B | |
| SCHEMBL9293692 | 0.77 | UBASH3B (0.69) | HPGDKDM4EALDH1A1PKMUBASH3B | |
| SCHEMBL20424627 | 0.74 | HPGD (0.68) | LMNAHPGDCYP2C9KDM4EALDH1A1 | |
| SCHEMBL30639791 | 0.74 | HPGD (0.68) | LMNAHPGDCYP2C9KDM4EALDH1A1 | |
| SCHEMBL5367697 | 0.74 | ITGB3 (0.53) | LMNAITGB1ITGA4ALDH1A1ITGB3 | |
| SCHEMBL5371339 | 0.74 | LMNA (0.50) | LMNAITGB1ITGA4ALDH1A1ITGB3 | |
| SCHEMBL5363563 | 0.74 | LMNA (0.50) | LMNAITGB1ITGA4ALDH1A1ITGB3 |
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 |