Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8417690 | 1.00 | HCAR2 (0.54) | HCAR2KEAP1NFE2L2GFPT1TSHR | |
| SCHEMBL8417684 | 1.00 | HCAR2 (0.54) | HCAR2KEAP1NFE2L2GFPT1TSHR | |
| SCHEMBL301455 | 0.91 | TSHR (0.43) | HCAR2KEAP1NFE2L2TSHRATM | |
| SCHEMBL950768 | 0.91 | TSHR (0.43) | HCAR2KEAP1NFE2L2TSHRATM | |
| SCHEMBL301454 | 0.91 | TSHR (0.43) | HCAR2KEAP1NFE2L2TSHRATM | |
| SCHEMBL8417687 | 0.84 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2GFPT1TSHR | |
| SCHEMBL8417691 | 0.84 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2GFPT1TSHR | |
| Acetic Acid Methyl Ester SCHEMBL20483629 | 0.83 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2GFPT1TSHR | |
| SCHEMBL8641563 | 0.83 | HCAR2 (0.57) | HCAR2KEAP1NFE2L2TSHRALDH1A1 | |
| SCHEMBL8641572 | 0.83 | HCAR2 (0.57) | HCAR2KEAP1NFE2L2TSHRALDH1A1 |
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 |