Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | HEXA | P06865 | 6/20 | 0.62 |
| ▸ | HEXB | P07686 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | OGA | O60502 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.57 |
| ▸ | FEN1 | P39748 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9034219 | 0.85 | HEXA (0.69) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL10262751 | 0.83 | CYP1B1 (0.71) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL22683219 | 0.82 | HEXA (0.73) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL4448751 | 0.82 | HEXA (0.71) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL31402 | 0.81 | CA12 (0.54) | ALDH1A1MEN1KMT2A | |
| SCHEMBL1330864 | 0.81 | CA12 (0.54) | ALDH1A1MEN1KMT2A | |
| SCHEMBL31643071 | 0.81 | CA12 (0.54) | ALDH1A1MEN1KMT2A | |
| SCHEMBL11678307 | 0.80 | HEXA (0.73) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL9327700 | 0.80 | CYP1B1 (0.67) | CYP1B1NPSR1HEXAHEXBALDH1A1 | |
| SCHEMBL13207607 | 0.80 | HEXA (0.73) | CYP1B1NPSR1HEXAHEXBALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4654433-A | Process for the preparation of esters of amino acids | MERCK & CO., INC. (US) | 1987-03-31 | — | — | US | disclosed |
| US-4198413-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4143146-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1979-03-06 | — | — | US | disclosed |
| US-4058530-A | PHENYLALANINE, ANTIHYPERTENSIVE | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4051169-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4038411-A | ANTIHYPERTENSIVE AMINO ACID ESTERS | MERCK & CO., INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-3988341-A | Esterification process | MERCK & CO., INC. (US) | 1976-10-26 | — | — | US | disclosed |
| US-3983138-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1976-09-28 | — | — | US | disclosed |