Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.52 |
| ▸ | MPO | P05164 | 4/20 | 0.48 |
| ▸ | YAP1 | P46937 | 1/20 | 0.48 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.48 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.47 |
| ▸ | IDH1 | O75874 | 6/20 | 0.45 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634356 | 0.87 | AKR1C3 (0.49) | AKR1C3AKR1C2IDH1 | |
| SCHEMBL8632259 | 0.87 | YAP1 (0.49) | AKR1C3AKR1C2MPOYAP1TEAD4 | |
| SCHEMBL8632908 | 0.85 | PTGS1 (0.43) | IDH1RAPGEF4 | |
| SCHEMBL7764123 | 0.84 | SLC9A1 (0.54) | — | |
| SCHEMBL8635252 | 0.84 | AKR1C3 (0.50) | AKR1C3AKR1C2IDH1 | |
| SCHEMBL8635463 | 0.83 | AKR1C3 (0.45) | AKR1C3AKR1C2 | |
| SCHEMBL8637536 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2IDH1RAPGEF4 | |
| SCHEMBL8634318 | 0.80 | PDE4B (0.46) | — | |
| SCHEMBL8630813 | 0.80 | AKR1C3 (0.50) | AKR1C3AKR1C2 | |
| SCHEMBL8633408 | 0.79 | ALDH1A1 (0.39) | IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5739142-A | 4-aminobenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-14 | — | — | US | disclosed |