Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27658729 | 0.95 | KCNA3 (0.57) | HRH3NFE2L2KCNA3HPGDNPC1 | |
| SCHEMBL3532579 | 0.93 | KCNA3 (0.55) | HRH3NFE2L2KCNA3HPGDNPC1 | |
| SCHEMBL13103169 | 0.91 | NFE2L2 (0.69) | HRH3NFE2L2KCNA3HPGDNPC1 | |
| SCHEMBL5179349 | 0.85 | CYSLTR2 (0.54) | HPGDNPC1PKMEPHX2RAB9A | |
| SCHEMBL11247178 | 0.84 | LTA4H (0.59) | HRH3KCNA3 | |
| SCHEMBL5179361 | 0.82 | HPGD (0.50) | HRH3NFE2L2HPGDNPC1PKM | |
| SCHEMBL12735820 | 0.82 | ITGB3 (0.57) | KCNA3 | |
| SCHEMBL22260017 | 0.82 | NFE2L2 (0.84) | HRH3NFE2L2HPGDNPC1RAB9A | |
| SCHEMBL9344709 | 0.82 | LTA4H (0.53) | HRH3KCNA3SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL22337072 | 0.82 | HRH3 (0.60) | HRH3NFE2L2HPGDSMN1; SMN2PTGES |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117105872-A | Benzodiazepine compound and preparation method and application thereof | 徐州医科大学 | 2023-11-24 | — | — | CN | claimed |
| CN-117105872-A | Benzodiazepine compound and preparation method and application thereof | 徐州医科大学 | 2023-11-24 | — | — | CN | disclosed |
| EP-1572628-B1 | ISOPHTALIC ACID DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2007-07-25 | — | — | EP | disclosed |