Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP2 | P42575 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31739367 | 0.80 | TSHR (0.47) | KMT2AMEN1S100A4POLBTNKS2 | |
| SCHEMBL19492450 | 0.80 | TSHR (0.47) | KMT2AMEN1S100A4POLBTNKS2 | |
| SCHEMBL22397202 | 0.78 | HSD17B10 (0.51) | GSK3BKMT2ATNKS2TSHRHTR2B | |
| SCHEMBL4082700 | 0.78 | HSD17B10 (0.51) | GSK3BKMT2ATNKS2TSHRHTR2B | |
| SCHEMBL29941489 | 0.78 | HSD17B10 (0.51) | GSK3BKMT2ATNKS2TSHRHTR2B | |
| SCHEMBL30179824 | 0.78 | HSD17B10 (0.51) | GSK3BKMT2ATNKS2TSHRHTR2B | |
| SCHEMBL8293271 | 0.74 | TSHR (0.48) | GSK3BKMT2AMEN1S100A4POLB | |
| SCHEMBL8585951 | 0.74 | MAPT (0.44) | GSK3BKMT2AMEN1S100A4POLB | |
| SCHEMBL125094 | 0.74 | MAPT (0.44) | GSK3BKMT2AMEN1S100A4POLB | |
| SCHEMBL8090678 | 0.72 | HSD17B10 (0.46) | GSK3BKMT2AMEN1S100A4POLB |
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-110028448-B | Preparation method of 3-hydroxy-2,3-dihydroisoquinoline-1, 4-diketone compound | 嘉兴学院 | 2020-07-31 | — | — | CN | claimed |
| CN-110028448-A | A kind of preparation method of 3- hydroxyl -2,3- dihydro-isoquinoline -1,4- dione compounds | 嘉兴学院 | 2019-07-19 | — | — | CN | claimed |
| CN-110028448-B | Preparation method of 3-hydroxy-2,3-dihydroisoquinoline-1, 4-diketone compound | 嘉兴学院 | 2020-07-31 | — | — | CN | disclosed |
| WO-2020102245-A1 | IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102243-A2 | IN-FLOW PHOTOOXYGENATION OF AMINOTHIENOPYRIDINONES GENERATES NOVEL PTP4A3 PHOSPHATASE INHIBITORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2020-05-22 | — | — | WO | disclosed |
| CN-110028448-A | A kind of preparation method of 3- hydroxyl -2,3- dihydro-isoquinoline -1,4- dione compounds | 嘉兴学院 | 2019-07-19 | — | — | CN | disclosed |
| CN-110028448-A | A kind of preparation method of 3- hydroxyl -2,3- dihydro-isoquinoline -1,4- dione compounds | 嘉兴学院 | 2019-07-19 | — | — | CN | disclosed |