Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8631102 | 0.88 | AKR1C3 (0.47) | ALDH1A1IDH1 | |
| SCHEMBL8635463 | 0.87 | AKR1C3 (0.45) | ALDH1A1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8634356 | 0.86 | AKR1C3 (0.49) | IDH1RAB9A | |
| SCHEMBL8632908 | 0.86 | PTGS1 (0.43) | IDH1PTGS1PTGS2CMA1MAPK13 | |
| SCHEMBL8634936 | 0.85 | AKR1C3 (0.48) | ALDH1A1IDH1SMN1; SMN2 | |
| SCHEMBL8635300 | 0.85 | HTT (0.38) | ALDH1A1TBXA2RPTGS1PTGS2 | |
| SCHEMBL8635344 | 0.85 | KMT2A (0.36) | ALDH1A1PTGS1PTGS2 | |
| SCHEMBL8636256 | 0.84 | TBXA2R (0.44) | ALDH1A1TBXA2R | |
| SCHEMBL27526953 | 0.84 | RAPGEF4 (0.42) | ALDH1A1 | |
| SCHEMBL7764096 | 0.82 | SLC9A1 (0.61) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1057999-C | 4-Aminobenzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 2000-11-01 | — | — | CN | disclosed |
| US-5739142-A | 4-aminobenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-14 | — | — | US | disclosed |
| CN-1138575-A | 4-aminobenzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 1996-12-25 | — | — | CN | disclosed |