Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | IL4 | P05112 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884296 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MPLADORA2AADORA1 | |
| SCHEMBL1582795 | 0.78 | MPL (0.53) | ALDH1A1NPC1MPLADORA2AL3MBTL1 | |
| SCHEMBL4402521 | 0.73 | L3MBTL1 (0.42) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL8238538 | 0.73 | KMO (0.44) | ALDH1A1NPC1MPL | |
| SCHEMBL1582458 | 0.72 | NPC1 (0.39) | ALDH1A1NPC1CCNE1CDK2CDC7 | |
| SCHEMBL14018473 | 0.71 | KDM1A (0.44) | ALDH1A1MPLCCNE1CDK2CDC7 | |
| SCHEMBL31006087 | 0.71 | MPL (0.67) | ALDH1A1NPC1MPLLMNAHTT | |
| SCHEMBL1916792 | 0.71 | MPL (0.67) | ALDH1A1NPC1MPLLMNAHTT | |
| SCHEMBL2596804 | 0.71 | AGPAT2 (0.39) | ALDH1A1NPC1MPLCCNE1CDK2 | |
| SCHEMBL25375541 | 0.69 | ABL1 (0.41) | ALDH1A1SLC9A1LMNAAGPAT2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |