Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.48 |
| ▸ | ADH1C | P00326 | 2/20 | 0.48 |
| ▸ | ADH1A | P07327 | 2/20 | 0.48 |
| ▸ | ADH7 | P40394 | 2/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.44 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1064910 | 0.98 | TSHR (0.62) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| Hydrochloric Acid SCHEMBL22771600 | 0.95 | TSHR (0.59) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL22756213 | 0.91 | TSHR (0.46) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL18625990 | 0.91 | TSHR (0.73) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL22157507 | 0.91 | TSHR (0.65) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| Hydrochloric Acid SCHEMBL23277190 | 0.91 | TSHR (0.59) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL9214189 | 0.91 | TSHR (0.73) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL3250615 | 0.91 | TSHR (0.73) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL22753257 | 0.91 | TSHR (0.73) | TSHRALDH1A1EPHX1ADH1BADH1C | |
| SCHEMBL295266 | 0.91 | TSHR (0.73) | TSHRALDH1A1EPHX1ADH1BADH1C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2776408-B1 | ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES | ASTEX THERAPEUTICS LTD (GB) | 2019-11-06 | — | — | EP | disclosed |