Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18642720 | 0.88 | CYP1A2 (0.59) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL28070789 | 0.85 | CYP1A2 (0.50) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL2001288 | 0.84 | CYP1A2 (0.54) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL10697189 | 0.83 | CYP1A2 (0.38) | CYP1A2LMNAHSD17B10 | |
| SCHEMBL3368077 | 0.82 | ALDH1A1 (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL28394433 | 0.80 | CYP1A2 (0.46) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1428085 | 0.80 | CYP1A2 (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL6329652 | 0.79 | GAA (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8336538 | 0.79 | CYP1A2 (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL15270397 | 0.78 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 |
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-107501110-A | Fumarate pro-drug and its application in a variety of diseases are treated | 阿尔克梅斯制药爱尔兰有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-105452213-B | Fumarate prodrugs and their use in the treatment of various diseases | 阿尔克梅斯制药爱尔兰有限公司 | 2017-09-22 | — | — | CN | disclosed |