Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL5677878 | 0.86 | CA2 (0.72) | CA1CA2CA9TSHR | |
| SCHEMBL5685667 | 0.85 | CA1 (0.52) | CA1CA2CA9TSHRALDH1A1 | |
| SCHEMBL25365514 | 0.81 | SLC6A2 (0.43) | CA1CA2CA9AURKARPS6KB1 | |
| SCHEMBL30100451 | 0.81 | TSHR (0.51) | CA1CA2CA9TSHRALDH1A1 | |
| SCHEMBL1004028 | 0.80 | TSHR (0.58) | CA1CA2CA9TSHRMEN1 | |
| SCHEMBL31038176 | 0.79 | JAK2 (0.44) | CA1CA2CA9AURKARPS6KB1 | |
| SCHEMBL28778421 | 0.79 | JAK2 (0.44) | CA1CA2CA9AURKARPS6KB1 | |
| SCHEMBL5723934 | 0.79 | KEAP1 (0.56) | CA1CA2CA9TSHRAURKA | |
| SCHEMBL19439093 | 0.79 | TSHR (0.53) | CA1CA2CA9TSHRAURKA | |
| Hydrochloric Acid SCHEMBL15690391 | 0.79 | TSHR (0.56) | CA1CA2CA9TSHRMEN1 |
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-114436955-A | Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2022-05-06 | — | — | CN | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |
| US-7019002-B2 | Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents | PHARMACIA & UPJOHN, S.P.A. (IT) | 2006-03-28 | — | — | US | disclosed |