Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.53 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30471810 | 0.90 | BCAT2 (0.52) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5067779 | 0.89 | MYC (0.47) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL18138748 | 0.89 | MYC (0.49) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL1788703 | 0.86 | BCAT2 (0.59) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL5742619 | 0.85 | MYC (0.53) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL28512961 | 0.85 | BCAT2 (0.53) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL6389895 | 0.84 | KDM4E (0.57) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL3701689 | 0.84 | MYC (0.51) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL5720757 | 0.83 | MYC (0.65) | MYCALDH1A1HPGDLMNAL3MBTL1 | |
| SCHEMBL28471957 | 0.83 | MYC (0.59) | MYCBCAT2KEAP1NFE2L2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010051237-A1 | 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | claimed |
| WO-2021065893-A1 | TETRALIN DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF | 国立大学法人 筑波大学 | 2021-04-08 | — | — | WO | disclosed |
| EP-3154979-A1 | IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. | Pfizer Limited (GB) | 2017-04-19 | — | — | EP | disclosed |
| WO-2015189744-A1 | IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. | PFIZER LIMITED (GB) | 2015-12-17 | — | — | WO | disclosed |