Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11452202 | 0.83 | GLA (0.53) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL27547929 | 0.79 | KDM4E (0.41) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL28108486 | 0.79 | MGAM (0.44) | SMN1; SMN2HTTLMNAMGAMGAA | |
| SCHEMBL2963308 | 0.79 | TSHR (0.46) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL1194369 | 0.78 | TSHR (0.46) | SMN1; SMN2GLATSHRL3MBTL1LMNA | |
| Potassium Ion SCHEMBL28395220 | 0.78 | L3MBTL1 (0.40) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL11697376 | 0.78 | GLA (0.56) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL20599523 | 0.77 | TSHR (0.44) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL9162523 | 0.76 | L3MBTL1 (0.45) | SMN1; SMN2GLATSHRHTTL3MBTL1 | |
| SCHEMBL249323 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2TSHRHTTL3MBTL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111039900-B | Preparation method of 1-morpholine-4- (2, 4, 5-trifluoro-phenyl) butane-1, 3-dione | 弈柯莱生物科技(集团)股份有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-111039900-A | Preparation method of 1-morpholine-4- (2,4, 5-trifluorophenyl) butane-1, 3-dione | 上海弈柯莱生物医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |