Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633397 | 0.86 | AKR1C3 (0.43) | AKR1C3AKR1C2TAS2R14CYP1A2CYP2C19 | |
| SCHEMBL8631388 | 0.84 | GAA (0.40) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL7764868 | 0.84 | SLC9A1 (0.56) | — | |
| SCHEMBL8636232 | 0.83 | PTGS2 (0.40) | AKR1C3CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL8635463 | 0.80 | AKR1C3 (0.45) | AKR1C3AKR1C2MEN1KMT2AALDH1A1 | |
| SCHEMBL8634356 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1KMT2AHTT | |
| SCHEMBL8635174 | 0.80 | AKR1C3 (0.49) | AKR1C3AKR1C2MEN1KMT2AALDH1A1 | |
| SCHEMBL8632107 | 0.80 | AKR1C3 (0.52) | AKR1C3AKR1C2 | |
| SCHEMBL8633215 | 0.79 | L3MBTL1 (0.42) | TAS2R14MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL8632865 | 0.76 | RORC (0.36) | KMT2ACNR2SMN1; 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 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 |