Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | ACACA | Q13085 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18914372 | 0.90 | ACACB (0.42) | ACACBACACASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18909759 | 0.86 | PDE4D (0.51) | ACACBPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18964399 | 0.86 | ACACB (0.41) | ACACBACACASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18909752 | 0.85 | ACACB (0.42) | ACACBPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18909756 | 0.78 | KDM4E (0.38) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL18883377 | 0.77 | ACACB (0.42) | ACACBPDE4AACACASLC6A2SLC6A4 | |
| SCHEMBL18908167 | 0.76 | ACACB (0.49) | ACACBPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19361576 | 0.75 | ACACB (0.41) | ACACBACACASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18959751 | 0.75 | SLC6A2 (0.39) | ACACBACACASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16245922 | 0.75 | ACACB (0.53) | ACACBPDE4APDE4BPDE4CPDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017091602-A1 | ESTER ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO, LLC (US) | 2017-06-01 | — | — | WO | disclosed |
| WO-2017091600-A1 | PYRAZOLE ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO, LLC (US) | 2017-06-01 | — | — | WO | disclosed |