Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15338880 | 0.83 | POLB (0.44) | ALDH1A1ACACBKMT2AEPHX1MMP1 | |
| SCHEMBL23654424 | 0.83 | HTT (0.37) | HTTALDH1A1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL20863049 | 0.81 | EPHX1 (0.33) | ACACBEPHX1CYP3A4CYP2C19 | |
| SCHEMBL12073745 | 0.79 | — | — | |
| SCHEMBL6736241 | 0.79 | KMT2A (0.39) | HTTALDH1A1KMT2AEPHX1MMP1 | |
| SCHEMBL2719822 | 0.77 | EPHX1 (0.50) | EPHX1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL18664153 | 0.77 | HTT (0.41) | HTTALDH1A1KMT2AMMP1MMP2 | |
| SCHEMBL26081876 | 0.76 | ALDH1A1 (0.40) | HTTALDH1A1KMT2AEPHX1CYP2C19 | |
| SCHEMBL22550258 | 0.76 | ALDH1A1 (0.40) | HTTALDH1A1KMT2AEPHX1MMP1 | |
| SCHEMBL21516844 | 0.75 | ACACB (0.30) | ACACB |
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-2017106607-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |