Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL17454062 | 0.84 | PTGER1 (0.55) | CHRM1ALDH1A1HSP90AA1SMN1; SMN2KMT2A | |
| SCHEMBL981886 | 0.82 | CES2 (0.52) | CES2CES1NPC1HPGDRAB9A | |
| SCHEMBL24043882 | 0.82 | CES2 (0.53) | CES2CES1HTTNPSR1ALDH1A1 | |
| SCHEMBL29972427 | 0.79 | CES2 (0.67) | CES2CES1HTTALDH1A1LMNA | |
| SCHEMBL7085442 | 0.77 | SLC6A4 (0.39) | CES2CES1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL28864516 | 0.76 | CES2 (0.63) | CES2CES1HSP90AA1SMN1; SMN2KMT2A | |
| SCHEMBL8800748 | 0.76 | CES2 (0.55) | CES2CES1NPSR1ALDH1A1HSP90AA1 | |
| Ammonia Solution, Strong SCHEMBL27655386 | 0.76 | CES2 (0.47) | CES2CES1CHRM1ALDH1A1LMNA | |
| SCHEMBL11082147 | 0.76 | CYP2C8 (0.54) | HTTNPSR1ALDH1A1HSP90AA1MITF | |
| SCHEMBL11681422 | 0.74 | HTT (0.55) | HTTNPSR1ALDH1A1HSP90AA1MITF |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |