Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL19475267 | 0.86 | AKR1B1 (0.56) | AKR1B1ALDH1A1KMT2ALMNAPTGS1 | |
| SCHEMBL5060389 | 0.86 | AKR1B1 (0.56) | AKR1B1ALDH1A1ALOX15DUSP3PTPN5 | |
| SCHEMBL625115 | 0.82 | PRNP (0.47) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL29836943 | 0.82 | PRNP (0.47) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL2727816 | 0.82 | PRNP (0.47) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL31347194 | 0.82 | PRNP (0.47) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL1814763 | 0.81 | PRNP (0.46) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL30281081 | 0.81 | PRNP (0.46) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| SCHEMBL1400049 | 0.81 | PRNP (0.46) | PRNPALDH1A1ALOX15KMT2AFABP4 | |
| Hydrochloric Acid SCHEMBL6095369 | 0.79 | PRNP (0.45) | PRNPALDH1A1ALOX15KMT2AFABP4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113856582-B | Synthesis device and method of intermediate halogenated nitrogen-containing heterocyclic carboxylic acid compound | 烟台宁远药业有限公司 | 2023-02-10 | — | — | CN | claimed |
| CN-113856582-A | Synthesis device and method of intermediate halogenated nitrogen-containing heterocyclic carboxylic acid compound | 烟台宁远药业有限公司 | 2021-12-31 | — | — | CN | claimed |
| CN-113856582-B | Synthesis device and method of intermediate halogenated nitrogen-containing heterocyclic carboxylic acid compound | 烟台宁远药业有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-113856582-A | Synthesis device and method of intermediate halogenated nitrogen-containing heterocyclic carboxylic acid compound | 烟台宁远药业有限公司 | 2021-12-31 | — | — | CN | disclosed |
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |
| WO-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |
| CN-110408011-A | A kind of two isoquinolin of second y-bend, four ketone polymer and the preparation method and application thereof | INST CHEMISTRY CAS | 2019-11-05 | — | — | CN | disclosed |