Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28824696 | 0.73 | ALDH1A1 (0.32) | ALDH1A1LMNA | |
| SCHEMBL28027221 | 0.73 | ADRA2A (0.56) | — | |
| SCHEMBL27840973 | 0.69 | HIF1A (0.47) | CYP19A1HRH3HRH4CYP3A4SLC7A5 | |
| SCHEMBL7312539 | 0.68 | PPARG (0.41) | MEN1KMT2A | |
| SCHEMBL10795770 | 0.66 | ITGB2 (0.46) | HRH3HRH4ALDH1A1MEN1GLA | |
| SCHEMBL28806027 | 0.66 | ITGB2 (0.46) | CYP19A1HRH3HRH4ALDH1A1MEN1 | |
| SCHEMBL9829519 | 0.66 | ITGB2 (0.58) | CYP19A1HRH3ALDH1A1CYP1A2ITGB2 | |
| SCHEMBL12228688 | 0.66 | HRH3 (0.59) | HRH3HRH4ALDH1A1MEN1GLA | |
| SCHEMBL10201264 | 0.66 | AGXT (0.39) | ALDH1A1CYP1A2LMNA | |
| SCHEMBL27414269 | 0.65 | CYP3A4 (0.46) | HRH3HRH4ALDH1A1MEN1GLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105431416-B | 4- alkynyl imdazole derivatives and contain its drug as effective component | 科研制药株式会社 | 2019-01-08 | — | — | CN | disclosed |