Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31159673 | 0.81 | HDAC3 (0.39) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL22009767 | 0.81 | HDAC3 (0.39) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL22544183 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL17186902 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL30217501 | 0.79 | CYP3A4 (0.40) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL1690351 | 0.77 | HDAC3 (0.42) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL29924192 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL1627738 | 0.75 | HDAC3 (0.46) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL19304122 | 0.73 | HDAC3 (0.40) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL2795577 | 0.73 | HDAC3 (0.40) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 |
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-2022078407-A1 | HETEROCYCLIC GLP-1 AGONISTS | GASHERBRUM BIO, INC. (US) | 2022-04-21 | — | — | WO | disclosed |