Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 8/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7765021 | 1.00 | AKR1C3 (0.57) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL474960 | 0.91 | AKR1C3 (0.52) | AKR1C3APEX1ALDH1A1GAAMAPT | |
| SCHEMBL31666241 | 0.86 | AKR1C3 (0.68) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL8746671 | 0.86 | AKR1C3 (0.68) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL3893886 | 0.86 | AKR1C3 (0.68) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL7764223 | 0.85 | AKR1C3 (0.59) | AKR1C3APEX1HTTALDH1A1GAA | |
| SCHEMBL7764230 | 0.85 | AKR1C3 (0.59) | AKR1C3APEX1HTTALDH1A1GAA | |
| SCHEMBL2954153 | 0.82 | AKR1C3 (0.50) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL7764991 | 0.80 | AKR1C3 (0.61) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL7764986 | 0.80 | AKR1C3 (0.61) | AKR1C3APEX1RXRARXRBNR4A2 |
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 |