Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.59 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7764230 | 1.00 | AKR1C3 (0.59) | AKR1C3TBXAS1DHODHTRPM8HTT | |
| SCHEMBL474960 | 0.91 | AKR1C3 (0.52) | AKR1C3POLBALDH1A1GLAMAPT | |
| SCHEMBL7765015 | 0.85 | AKR1C3 (0.57) | AKR1C3DHODHTRPM8HTTALDH1A1 | |
| SCHEMBL7765021 | 0.85 | AKR1C3 (0.57) | AKR1C3DHODHTRPM8HTTALDH1A1 | |
| SCHEMBL4804273 | 0.84 | AKR1C3 (0.71) | AKR1C3TBXAS1HTTPOLBATM | |
| SCHEMBL17673050 | 0.84 | AKR1C3 (0.71) | AKR1C3TBXAS1HTTPOLBATM | |
| SCHEMBL28475186 | 0.78 | MAPT (0.47) | AKR1C3POLBALDH1A1GLATDP1 | |
| SCHEMBL2954153 | 0.76 | AKR1C3 (0.50) | AKR1C3APEX1RAB9A | |
| SCHEMBL37034 | 0.76 | AKR1C3 (1.00) | AKR1C3TBXAS1DHODHTRPM8HTT | |
| SCHEMBL8746671 | 0.76 | AKR1C3 (0.68) | AKR1C3HTTMAPTAPEX1 |
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-2001087829-A1 | BISACYLGUANIDINE | MERCK PATENT GMBH (DE) | 2001-11-22 | — | — | WO | disclosed |