Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | ITK | Q08881 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28561898 | 0.98 | TSHR (0.46) | TSHRCYP17A1BRD4OPRM1OPRD1 | |
| SCHEMBL13140181 | 0.85 | CYP17A1 (0.51) | TSHRCYP17A1OPRM1LMNACYP19A1 | |
| SCHEMBL730151 | 0.82 | TSHR (0.44) | TSHRCYP17A1BRD4CYP19A1 | |
| SCHEMBL5674598 | 0.82 | TAAR1 (0.47) | TSHRBRD4CYP19A1 | |
| SCHEMBL13550324 | 0.82 | MAPT (0.50) | LMNA | |
| SCHEMBL732500 | 0.79 | TSHR (0.41) | TSHRCYP17A1BRD4CYP19A1 | |
| SCHEMBL14857486 | 0.79 | TSHR (0.39) | TSHRCYP17A1BRD4CYP19A1 | |
| SCHEMBL14857830 | 0.79 | TSHR (0.39) | TSHRCYP17A1BRD4OPRM1OPRD1 | |
| SCHEMBL27621980 | 0.78 | POLB (0.45) | TSHRBRD4 | |
| SCHEMBL14857787 | 0.77 | ALDH1A1 (0.41) | TSHRCYP17A1BRD4OPRM1OPRD1 |
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-112778202-B | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2022-07-05 | — | — | CN | claimed |
| CN-112778202-A | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2021-05-11 | — | — | CN | claimed |
| CN-112778202-B | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-112778202-A | Benzyl pyrazole ionic liquid compound and preparation method and application thereof | 河南大学 | 2021-05-11 | — | — | CN | disclosed |