Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.82 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.55 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.55 |
| ▸ | ITGAL | P20701 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 2/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29353984 | 0.91 | — | — | |
| SCHEMBL14417491 | 0.91 | ABCG2 (1.00) | ABCG2ITGB2ICAM1ITGALPKM | |
| SCHEMBL4424499 | 0.91 | — | — | |
| SCHEMBL8711 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL4243178 | 0.88 | ABCG2 (0.93) | ABCG2ITGB2ICAM1ITGALPKM | |
| Methane SCHEMBL23532210 | 0.88 | ABCG2 (0.93) | ABCG2ITGB2ICAM1ITGALPKM | |
| Ethylamine SCHEMBL29145969 | 0.87 | ABCG2 (0.70) | ABCG2ITGB2ICAM1ITGALPKM | |
| Hydrochloric Acid SCHEMBL21296905 | 0.85 | ABCG2 (0.88) | ABCG2ITGB2ICAM1ITGALPKM | |
| Propylamine SCHEMBL29259562 | 0.83 | ABCG2 (0.64) | ABCG2ITGB2ICAM1ITGALPKM | |
| Methylamine SCHEMBL3886898 | 0.82 | ITGB2 (0.82) | ABCG2ITGB2ICAM1ITGALTSHR |
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-114316951-B | Cadmium-based two-dimensional hybridization perovskite long afterglow material, and preparation method and application thereof | 南京邮电大学 | 2023-12-22 | — | — | CN | disclosed |
| CN-1304374-C | Quinoline derivatives as caspase-3 inhibitor, preparation for producing the same and pharmaceutical composition comprising the same | YUNGJIN PHARMACEUTICAL CO LTD (KR) | 2007-03-14 | — | — | CN | disclosed |
| CN-1662505-A | Quinoline derivatives useful as caspase-3 inhibitors, process for their preparation and pharmaceutical compositions containing them | YUNGJIN PHARMACEUTICAL CO LTD (KR) | 2005-08-31 | — | — | CN | disclosed |