Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28296128 | 0.81 | TSHR (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL25195357 | 0.75 | CA12 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28379616 | 0.74 | TP53 (0.32) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Hydrochloric Acid SCHEMBL27029865 | 0.73 | CA12 (0.33) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30356678 | 0.72 | TP53 (0.33) | HSD17B10 | |
| SCHEMBL28379615 | 0.66 | TP53 (0.33) | HSD17B10 | |
| SCHEMBL4334920 | 0.65 | ALDH1A1 (0.30) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10512179 | 0.65 | TP53 (0.31) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6619765 | 0.63 | ALDH1A1 (0.33) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29152579 | 0.63 | TP53 (0.33) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061944-A | Pyridines and pyrimidines and use thereof | 普渡制药公司 | 2016-10-26 | — | — | CN | claimed |
| CN-117412959-A | Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof | 爱彼特生物制药公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-106061944-A | Pyridines and pyrimidines and use thereof | 普渡制药公司 | 2016-10-26 | — | — | CN | disclosed |
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |