Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12465559 | 1.00 | HSD11B1 (0.36) | HSD11B1CYP3A4FUCA1CES1CES2 | |
| SCHEMBL11482575 | 0.75 | FDFT1 (0.42) | HSD11B1CYP3A4CES1CES2AKR1B1 | |
| SCHEMBL7621506 | 0.69 | ALDH1A1 (0.39) | CYP3A4KMT2AGRM2GRM3ALDH1A1 | |
| SCHEMBL549395 | 0.66 | MMP2 (0.42) | MEN1KMT2A | |
| SCHEMBL28603393 | 0.65 | ALDH1A1 (0.38) | HSD11B1CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL3956073 | 0.64 | SLC5A2 (0.40) | — | |
| SCHEMBL28079322 | 0.63 | FDFT1 (0.44) | HSD11B1CYP3A4CES1CES2AKR1B1 | |
| SCHEMBL29974818 | 0.63 | HSD11B1 (0.31) | HSD11B1 | |
| SCHEMBL16551974 | 0.62 | LMNA (0.37) | HSD11B1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL9439491 | 0.62 | ALDH1A1 (0.39) | HSD11B1FUCA1ALDH1A1OPRM1OPRL1 |
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-2670765-B1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 4) LTD (GB) | 2017-10-18 | — | — | EP | disclosed |