Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | FABP2 | P12104 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL409670 | 0.80 | ALDH1A1 (0.41) | PTGS1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL8529625 | 0.75 | PTGS2 (0.38) | PTGS1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL8530215 | 0.72 | MEN1 (0.39) | PTGS1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL2524408 | 0.71 | PTPN1 (0.46) | AKR1C3AKR1C2AKR1C1MAPTHPGD | |
| SCHEMBL2805234 | 0.71 | ACLY (0.46) | PTGS1AKR1C2AKR1C1HNF4AFOLH1 | |
| SCHEMBL29128772 | 0.71 | ALDH1A1 (0.40) | MEN1KMT2APTGS2HPGDALDH1A1 | |
| SCHEMBL8189162 | 0.70 | BCAT2 (0.40) | MEN1KMT2ADRD3LMNACYP1A2 | |
| SCHEMBL5934445 | 0.69 | HNF4A (0.54) | AKR1C3AKR1C2AKR1C1AKR1C4HNF4A | |
| SCHEMBL27587157 | 0.69 | PTPN1 (0.44) | PTGS1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL30696009 | 0.68 | RXRA (0.43) | AKR1C3AKR1C2AKR1C1HNF4AFOLH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110655539-B | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2020-01-07 | — | — | CN | disclosed |