Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 9/20 | 0.41 |
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9481356 | 0.86 | RAB9A (0.40) | HCAR2FFAR2RAB9ANPC1CYP1A2 | |
| SCHEMBL5214094 | 0.84 | FFAR2 (0.49) | HCAR2FFAR2RAB9ANPC1CYP1A2 | |
| SCHEMBL14887666 | 0.84 | FFAR2 (0.46) | FFAR2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL11165530 | 0.82 | RAB9A (0.37) | FFAR2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL11165532 | 0.82 | RAB9A (0.37) | FFAR2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL4256153 | 0.77 | RAB9A (0.65) | HCAR2FFAR2RAB9ANPC1CYP1A2 | |
| SCHEMBL22750823 | 0.77 | HCAR2 (0.52) | HCAR2FFAR2RAB9ANPC1CYP1A2 | |
| SCHEMBL9481429 | 0.76 | MAPT (0.39) | FFAR2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL9481438 | 0.76 | MAPT (0.39) | FFAR2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL186141 | 0.74 | HCAR2 (0.53) | HCAR2FFAR2RAB9ANPC1CYP1A2 |
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-2576586-B1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-08-12 | — | — | EP | disclosed |