Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | 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 | 2/20 | 0.36 |
| ▸ | ADH1C | P00326 | 2/20 | 0.36 |
| ▸ | ADH1A | P07327 | 2/20 | 0.36 |
| ▸ | ADH7 | P40394 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6283490 | 1.00 | TSHR (0.48) | TSHRALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL26564065 | 1.00 | TSHR (0.48) | TSHRALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL22644464 | 0.93 | TSHR (0.59) | TSHRALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL24003117 | 0.93 | TSHR (0.59) | TSHRALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL6280015 | 0.91 | TSHR (0.56) | TSHRALDH1A1CYP3A4CYP2C19ADH1B | |
| SCHEMBL14469367 | 0.91 | TSHR (0.56) | TSHRALDH1A1CYP3A4CYP2C19ADH1B | |
| SCHEMBL6285476 | 0.91 | TSHR (0.56) | TSHRALDH1A1CYP3A4CYP2C19ADH1B | |
| SCHEMBL6285010 | 0.91 | TSHR (0.56) | TSHRALDH1A1CYP3A4CYP2C19ADH1B | |
| SCHEMBL20906860 | 0.91 | TSHR (0.48) | TSHRALDH1A1CYP3A4CYP2C19MEN1 | |
| SCHEMBL22421817 | 0.88 | TSHR (0.52) | TSHRALDH1A1CYP3A4CYP2C19MEN1 |
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-3644993-B1 | AMORPHOUS AND CRYSTALLINE FORMS OF IDO INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-4112049-A1 | ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR | Fukang (Shanghai) Health Technology Co., Ltd. (CN) | 2023-01-04 | — | — | EP | disclosed |