Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | GPBAR1 | Q8TDU6 | 11/20 | 0.57 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NT5E | P21589 | 2/20 | 0.52 |
| ▸ | RORC | P51449 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GLI1 | P08151 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.52 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.52 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23284050 | 0.85 | GPBAR1 (0.73) | PTPN1GPBAR1PRKCD | |
| SCHEMBL4363308 | 0.84 | GPBAR1 (0.73) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL30138183 | 0.84 | GPBAR1 (0.73) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL15362683 | 0.83 | GPBAR1 (0.79) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL16675281 | 0.83 | GPBAR1 (0.64) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL16677969 | 0.83 | GPBAR1 (0.79) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL16675291 | 0.83 | GPBAR1 (0.64) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL23284099 | 0.83 | GPBAR1 (0.62) | GPBAR1PRKCD | |
| SCHEMBL25464072 | 0.81 | PTPN1 (0.56) | PTPN1GPBAR1PRKCDLMNANT5E | |
| SCHEMBL15362614 | 0.79 | GPBAR1 (0.68) | GPBAR1PRKCDNT5E |
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-4103579-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | Hetero Labs Limited (IN) | 2022-12-21 | — | — | EP | disclosed |