Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10941204 | 0.88 | ALDH1A1 (0.45) | AKR1C3ABCB1ALDH1A1LMNA | |
| SCHEMBL10941152 | 0.88 | ALDH1A1 (0.45) | AKR1C3ABCB1ALDH1A1LMNA | |
| SCHEMBL10941421 | 0.88 | ALDH1A1 (0.45) | AKR1C3ABCB1ALDH1A1LMNA | |
| SCHEMBL28209564 | 0.87 | AKR1C3 (0.47) | AKR1C3GAAMAPTABCB1BCL2 | |
| SCHEMBL10579959 | 0.84 | AKR1C3 (0.47) | AKR1C3GAAMAPTABCB1BCL2 | |
| SCHEMBL5322911 | 0.83 | MAPT (0.41) | MAPTALDH1A1SLC6A3KMT2AMEN1 | |
| SCHEMBL8013779 | 0.79 | AKR1C3 (0.42) | AKR1C3GAAMAPTABCB1BCL2 | |
| SCHEMBL9294586 | 0.79 | CYSLTR2 (0.46) | AKR1C3GAAMAPTABCB1BCL2 | |
| SCHEMBL297996 | 0.79 | PPARG (0.39) | ALDH1A1SLC6A2SLC6A3KMT2AMEN1 | |
| SCHEMBL28408034 | 0.78 | AKR1C3 (0.52) | AKR1C3GAAMAPTABCB1BCL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104284891-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-04-17 | — | — | CN | disclosed |