Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YAP1 | P46937 | 1/20 | 0.49 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.49 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.49 |
| ▸ | MPO | P05164 | 4/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764117 | 0.88 | AKR1C3 (0.42) | IDH1AKR1C3AKR1C2CYP3A4CYP2C19 | |
| SCHEMBL8632107 | 0.87 | AKR1C3 (0.52) | YAP1TEAD4TEAD2MPORXFP1 | |
| SCHEMBL8632359 | 0.86 | MEN1 (0.44) | LMNAGAA | |
| SCHEMBL7764083 | 0.85 | YAP1 (0.43) | YAP1TEAD4TEAD2 | |
| SCHEMBL8633209 | 0.84 | MEN1 (0.43) | AKR1C3AKR1C2ALDH1A1HPGDLMNA | |
| SCHEMBL8635140 | 0.84 | BCAT2 (0.42) | RXFP1AKR1C3AKR1C2CYP3A4CYP2C19 | |
| SCHEMBL8635178 | 0.82 | AKR1C3 (0.48) | AKR1C3AKR1C2HPGDLMNAGAA | |
| SCHEMBL8632351 | 0.81 | PDE4B (0.41) | RXFP1ALDH1A1LMNA | |
| SCHEMBL8633397 | 0.81 | AKR1C3 (0.43) | AKR1C3AKR1C2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8635300 | 0.80 | HTT (0.38) | ALDH1A1 |
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 |