Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 13/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6598876 | 0.87 | MAPT (0.51) | HPGDCYP2C19ALDH1A1MAPTFFAR1 | |
| SCHEMBL28696939 | 0.85 | SIRT1 (0.53) | HPGDCYP2C19ALDH1A1MAPTCYP2A6 | |
| SCHEMBL2031429 | 0.82 | SMAD3 (0.56) | FFAR1 | |
| SCHEMBL1663549 | 0.81 | CYP2A6 (0.50) | HPGDCYP2C19ALDH1A1MAPTCYP2A6 | |
| SCHEMBL3052921 | 0.81 | LOXL2 (0.58) | HPGDALDH1A1FFAR1PPARGFFAR4 | |
| SCHEMBL5636938 | 0.81 | KDM4E (0.57) | HPGDCYP2C19ALDH1A1FFAR1PPARG | |
| SCHEMBL31561464 | 0.81 | FFAR1 (0.54) | MAPTFFAR1PPARG | |
| SCHEMBL29417817 | 0.78 | MTNR1A (0.60) | HPGDALDH1A1MAPTMTNR1AMTNR1B | |
| SCHEMBL606161 | 0.78 | MTNR1A (0.60) | HPGDALDH1A1MAPTMTNR1AMTNR1B | |
| SCHEMBL6252222 | 0.78 | CYP2A6 (0.55) | HPGDCYP2C19ALDH1A1MAPTCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104829597-A | 1H-indol-2-carbohydrazide derivative as well as preparation method and use of derivative | UNIV XIAMEN | 2015-08-12 | — | — | CN | disclosed |