Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 8/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764991 | 1.00 | AKR1C3 (0.61) | AKR1C3APEX1HTTRXRARXRB | |
| SCHEMBL22042820 | 0.91 | AKR1C3 (0.52) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL240897 | 0.90 | AKR1C3 (0.55) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL5852799 | 0.90 | AKR1C3 (0.55) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL3893886 | 0.89 | AKR1C3 (0.68) | AKR1C3APEX1HTTRXRARXRB | |
| SCHEMBL8746671 | 0.89 | AKR1C3 (0.68) | AKR1C3APEX1HTTRXRARXRB | |
| SCHEMBL31666241 | 0.89 | AKR1C3 (0.68) | AKR1C3APEX1HTTRXRARXRB | |
| SCHEMBL22042826 | 0.84 | APEX1 (0.49) | AKR1C3APEX1RXRARXRBNR4A2 | |
| SCHEMBL208434 | 0.82 | AKR1C3 (0.59) | AKR1C3APEX1 | |
| SCHEMBL11783107 | 0.82 | AKR1C3 (0.59) | AKR1C3APEX1HTTRXRARXRB |
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 |