Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7733089 | 0.89 | ALDH1A1 (0.48) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL2081864 | 0.87 | AKR1C3 (0.67) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL2081866 | 0.87 | AKR1C3 (0.67) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL7732416 | 0.86 | NPSR1 (0.47) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL4659329 | 0.85 | AKR1C3 (0.53) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL7733262 | 0.85 | AKR1C3 (0.53) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL4656943 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL4656875 | 0.83 | LMNA (0.54) | AKR1C3AKR1C2ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL5742182 | 0.81 | ALDH1A1 (0.49) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL2407166 | 0.80 | ALDH1A1 (0.54) | AKR1C3AKR1C2TSHRALDH1A1L3MBTL1 |
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-6476266-B1 | Diamino compound and production process for the same | CHISSO CORPORATION (JP) | 2002-11-05 | — | — | US | disclosed |