Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 8/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12333039 | 0.93 | SMN1; SMN2 (0.44) | KDM4ETDP1ALDH1A1ABL1POLB | |
| SCHEMBL30694356 | 0.87 | KDM4E (0.50) | KDM4ETDP1ALDH1A1ABL1POLB | |
| SCHEMBL12300577 | 0.80 | GSK3B (0.38) | KDM4ETDP1ALDH1A1ABL1POLB | |
| SCHEMBL14532029 | 0.78 | GSK3B (0.64) | GSK3BPTPN1NPC1RAB9AHDAC3 | |
| SCHEMBL17613140 | 0.78 | SMN1; SMN2 (0.57) | KDM4ETDP1ALDH1A1GAAL3MBTL1 | |
| SCHEMBL9611581 | 0.78 | HDAC3 (0.38) | KDM4ETDP1ALDH1A1ABL1POLB | |
| SCHEMBL8746872 | 0.78 | GSK3B (0.64) | KDM4EALDH1A1POLBGSK3BPTPN1 | |
| SCHEMBL26358 | 0.77 | BLM (0.67) | KDM4ETDP1ALDH1A1ABL1POLB | |
| SCHEMBL5358806 | 0.77 | TSHR (0.63) | ALDH1A1ALOX15CES1SMN1; SMN2 | |
| Water SCHEMBL27733248 | 0.76 | SMN1; SMN2 (0.55) | KDM4ETDP1ALDH1A1GAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2010024356-A1 | NOVEL HYDROXAMIC ACID DERIVATIVE HAVING NAPHTHYRIDINE-N-OXIDE | 大正製薬株式会社 (JP) | 2010-03-04 | — | — | WO | disclosed |