Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ADH1B | P00325 | 2/20 | 0.48 |
| ▸ | ADH1C | P00326 | 2/20 | 0.48 |
| ▸ | ADH1A | P07327 | 2/20 | 0.48 |
| ▸ | ADH7 | P40394 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 5/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1462382 | 0.95 | — | — | |
| SCHEMBL1462485 | 0.87 | — | — | |
| SCHEMBL988701 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL3366462 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL9400784 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL23929272 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL8956839 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL10809979 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL1462499 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL6567298 | 0.85 | EPHX1 (0.58) | TSHRALDH1A1ADH1BADH1CADH1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088120-A | inhibitors of transglutaminase | 策迪拉有限公司 | 2019-08-02 | — | — | CN | disclosed |