Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.55 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.55 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | BRD4 | O60885 | 7/20 | 0.51 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21061648 | 0.77 | HTR5A (0.42) | AHRMAPTALDH1A1KMT2A | |
| SCHEMBL30100699 | 0.74 | PDK2 (0.48) | AHRPDK2NPC1MAPK13MAPK12 | |
| SCHEMBL6220027 | 0.74 | PDK2 (0.48) | AHRPDK2NPC1MAPK13MAPK12 | |
| SCHEMBL8525844 | 0.74 | AHR (0.49) | AHRPDK2NPC1MAPK13MAPK12 | |
| SCHEMBL8707641 | 0.73 | HTR1A (0.40) | NPC1HTR1ADRD2HTR2CHTR7 | |
| SCHEMBL21061671 | 0.73 | AHR (0.52) | AHRPDK2NPC1MAPK13MAPK12 | |
| Oxindole SCHEMBL19504 | 0.73 | AHR (1.00) | AHRPDK2NPC1MAPK13MAPK12 | |
| Oxindole SCHEMBL1144643 | 0.73 | AHR (1.00) | AHRPDK2NPC1MAPK13MAPK12 | |
| Oxindole SCHEMBL29358826 | 0.73 | AHR (1.00) | AHRPDK2NPC1MAPK13MAPK12 | |
| SCHEMBL6327840 | 0.72 | BRD4 (0.50) | AHRPDK2NPC1MAPK13MAPK12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020228756-A1 | INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2020-11-19 | — | — | WO | disclosed |
| WO-1999015524-A1 | THIAZOLE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-04-01 | — | — | WO | disclosed |