Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LDHA | P00338 | 3/20 | 0.40 |
| ▸ | LDHB | P07195 | 3/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL18089697 | 0.83 | ALDH1A1 (0.44) | CYP3A4MAPTLDHALDHBDHODH | |
| SCHEMBL22097577 | 0.82 | TTR (0.44) | MAPTKDM4EALDH1A1HPGDTTR | |
| SCHEMBL3484657 | 0.82 | ALDH1A1 (0.50) | CYP3A4MAPTLDHALDHBKDM4E | |
| SCHEMBL31643742 | 0.82 | ALDH1A1 (0.50) | CYP3A4MAPTLDHALDHBKDM4E | |
| SCHEMBL29693892 | 0.81 | TDP1 (0.39) | CYP3A4LDHALDHBDHODHKDM4E | |
| SCHEMBL1085313 | 0.81 | TDP1 (0.39) | CYP3A4LDHALDHBDHODHKDM4E | |
| SCHEMBL27324755 | 0.81 | TDP1 (0.39) | CYP3A4LDHALDHBDHODHALDH1A1 | |
| SCHEMBL434350 | 0.79 | CA12 (0.47) | CYP3A4MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL31006010 | 0.78 | CA12 (0.50) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6494516 | 0.78 | CA12 (0.50) | MAPTKDM4EALDH1A1HPGDHSD17B10 |
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-105218329-B | Intermediate of liflozin analogues and preparation method of intermediate | 上海应用技术学院 | 2017-05-03 | — | — | CN | disclosed |
| WO-2011044506-A2 | SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |