Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 9/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 8/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11246156 | 0.84 | ACHE (0.46) | IDO1ACHEBCHELMNAHTT | |
| SCHEMBL11243205 | 0.84 | BCHE (0.46) | IDO1ACHEBCHEPOLBLMNA | |
| SCHEMBL11252953 | 0.74 | FFAR4 (0.45) | ACHEBCHELMNAHTTSMN1; SMN2 | |
| SCHEMBL19607289 | 0.72 | ACHE (0.43) | IDO1ACHEBCHECA12CA1 | |
| Hydrochloric Acid SCHEMBL6702520 | 0.71 | CA1 (0.48) | ACHEBCHETP53POLBHTT | |
| SCHEMBL11244068 | 0.71 | ACHE (0.43) | ACHEBCHEPOLBLMNAHTT | |
| Hydrochloric Acid SCHEMBL8124009 | 0.68 | L3MBTL1 (0.46) | POLBSMN1; SMN2TDP1L3MBTL1CA12 | |
| SCHEMBL16754277 | 0.67 | CA1 (0.43) | ACHEBCHETP53POLBHTT | |
| SCHEMBL19601120 | 0.67 | ACHE (0.54) | IDO1ACHEBCHECA12CA1 | |
| SCHEMBL19607241 | 0.67 | ACHE (0.48) | IDO1ACHEBCHECA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0006628-B1 | SUBSTITUTED DIHYDROPYRIDINE UREAS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-12-29 | — | — | EP | disclosed |
| EP-0006628-A1 | Substituted dihydropyridine ureas, process for preparing the same and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-01-09 | — | — | EP | disclosed |
| US-4176187-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1979-11-27 | — | — | US | disclosed |