Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630813 | 0.86 | AKR1C3 (0.50) | AKR1C3AKR1C2BCL2L1MCL1ALDH1A1 | |
| SCHEMBL8635172 | 0.85 | CXCL8 (0.42) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL7766594 | 0.84 | SLC9A1 (0.44) | — | |
| SCHEMBL8634536 | 0.84 | CXCL8 (0.43) | AKR1C3ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8635140 | 0.81 | BCAT2 (0.42) | AKR1C3AKR1C2ALDH1A1MEN1KMT2A | |
| SCHEMBL7764117 | 0.81 | AKR1C3 (0.42) | AKR1C3AKR1C2MCL1MEN1KMT2A | |
| SCHEMBL8636186 | 0.81 | AKR1C3 (0.44) | AKR1C3AKR1C2MCL1ALDH1A1MEN1 | |
| SCHEMBL8632259 | 0.81 | YAP1 (0.49) | AKR1C3AKR1C2ALDH1A1LMNACYP3A4 | |
| SCHEMBL8633057 | 0.80 | L3MBTL1 (0.41) | ALDH1A1LMNATAS2R14POLBGAA | |
| SCHEMBL8633152 | 0.78 | RORC (0.38) | BCL2L1MCL1SMN1; SMN2 |
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 |