Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.61 |
| ▸ | NT5E | P21589 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | PRKCG | P05129 | 2/20 | 0.57 |
| ▸ | GLI1 | P08151 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | RORC | P51449 | 1/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.56 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17162701 | 1.00 | GPBAR1 (0.61) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL9891372 | 0.95 | GPBAR1 (0.55) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL14682826 | 0.95 | GPBAR1 (0.55) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL9888542 | 0.93 | GPBAR1 (0.53) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL9105293 | 0.93 | GPBAR1 (0.53) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL9888468 | 0.92 | GPBAR1 (0.52) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL15185806 | 0.91 | GPBAR1 (0.51) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL15185742 | 0.89 | PTGES (0.52) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL9889521 | 0.89 | GPBAR1 (0.49) | GPBAR1NT5ELMNASMN1; SMN2PRKCG | |
| SCHEMBL14666427 | 0.89 | CA9 (0.48) | — |
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-2576585-B1 | MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-10-12 | — | — | EP | disclosed |