Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | HTT | P42858 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 1/20 | 0.58 |
| ▸ | CDC7 | O00311 | 7/20 | 0.57 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10923674 | 0.81 | ALDH1A1 (0.51) | LMNAHTTHPGDALDH1A1NPC1 | |
| SCHEMBL3396404 | 0.76 | TSHR (0.78) | LMNAHTTHPGDALDH1A1NPC1 | |
| SCHEMBL29514799 | 0.74 | BRD4 (1.00) | NPC1RAB9ABRD4NT5C2 | |
| SCHEMBL23124 | 0.74 | BRD4 (1.00) | NPC1RAB9ABRD4NT5C2 | |
| SCHEMBL29851680 | 0.73 | CDC7 (1.00) | LMNAHTTHPGDALDH1A1NPC1 | |
| SCHEMBL2120065 | 0.73 | CDC7 (1.00) | LMNAHTTHPGDALDH1A1NPC1 | |
| SCHEMBL8381776 | 0.73 | BRD4 (0.97) | NPC1RAB9ABRD4NT5C2 | |
| SCHEMBL6463477 | 0.71 | BRD4 (0.92) | BRD4NT5C2 | |
| SCHEMBL8696237 | 0.70 | TSHR (0.72) | LMNAHTTHPGDALDH1A1NPC1 | |
| Buthiopurine SCHEMBL10380092 | 0.70 | PAK1 (0.66) | LMNAHTTHPGDALDH1A1NPC1 |
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-0038541-B1 | NOVEL PRODRUGS OF BIOLOGICALLY ACTIVE AGENTS CONTAINING MERCAPTO GROUPS, PROCESS FOR PREPARING AND THERAPEUTICALLY EFFECTIVE COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1986-08-13 | — | — | EP | disclosed |
| US-4443435-A | ANTICARCINOGENS, HYPOTENSIVE AGENTS, HYPERTHYROIDISM | MERCK & CO., INC. (US) | 1984-04-17 | — | — | US | disclosed |
| EP-0038541-A1 | Novel prodrugs of biologically active agents containing mercapto groups, process for preparing and therapeutically effective composition containing the same | MERCK & CO. INC. (US) | 1981-10-28 | — | — | EP | disclosed |