Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19903227 | 0.90 | TSHR (0.33) | MEN1KMT2AHSD17B10TSHRLMNA | |
| SCHEMBL19903239 | 0.83 | TSHR (0.37) | ALDH1A1HSD17B10TSHRLMNA | |
| SCHEMBL20311368 | 0.77 | MAOB (0.38) | MEN1KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL19903214 | 0.77 | HPGD (0.39) | MEN1KMT2AHPGDALDH1A1L3MBTL1 | |
| SCHEMBL19903237 | 0.75 | HPGD (0.38) | MEN1KMT2AHPGDALDH1A1HSD17B10 | |
| SCHEMBL20108700 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL20108497 | 0.73 | HSD11B1 (0.37) | MEN1KMT2AALDH1A1TSHRLMNA | |
| SCHEMBL19903241 | 0.73 | TSHR (0.35) | MEN1KMT2AALDH1A1HSD17B10TSHR | |
| SCHEMBL16025274 | 0.70 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL19903262 | 0.69 | HPGD (0.35) | HPGDALDH1A1KDM4EPOLBGAA |
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-2976341-B1 | ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-02-28 | — | — | EP | disclosed |