Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 SCHEMBL22771788 | 0.98 | TSHR (0.46) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL23282568 | 0.96 | TSHR (0.44) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL23328110 | 0.91 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| Hydrochloric Acid SCHEMBL22771556 | 0.91 | TSHR (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL24331758 | 0.91 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL19245472 | 0.91 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| Hydrochloric Acid SCHEMBL22771730 | 0.83 | PAOX (0.40) | TSHRALDH1A1PAOXTHRATHRB | |
| SCHEMBL24040956 | 0.82 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL20648073 | 0.82 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL22735242 | 0.82 | ALDH1A1 (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3269715-B1 | SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |
| EP-3315531-A1 | 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY | Xiamen Sinopeg Biotech Co., Ltd. (CN) | 2018-05-02 | — | — | EP | disclosed |