Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.47 |
| ▸ | WNT3A | P56704 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL6598879 | 0.87 | ENPP2 (0.51) | MAOACYP2C19MAPTHPGDCYP2A6 | |
| SCHEMBL130519 | 0.82 | AHR (0.56) | USP2GAAALOX15RAD51NPSR1 | |
| SCHEMBL29560117 | 0.82 | AHR (0.56) | USP2GAAALOX15RAD51NPSR1 | |
| Propionic Acid SCHEMBL8946376 | 0.81 | AHR (0.68) | MAOACTNNB1WNT3AESR1PTGS2 | |
| Hydrochloric Acid SCHEMBL3325397 | 0.80 | AHR (0.54) | USP2GAAALOX15RAD51NPSR1 | |
| Iodide SCHEMBL7361153 | 0.80 | AHR (0.54) | PTGS2USP2GAAALOX15RAD51 | |
| Propionic Acid SCHEMBL6859894 | 0.78 | MAOA (0.62) | MAOAESR1GAANPC1CYP2C19 | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.77 | CYP2A6 (0.45) | MAOAUSP2GAAALOX15RAD51 | |
| Indole SCHEMBL1614937 | 0.76 | TRPA1 (0.63) | MAOACTNNB1WNT3AESR1NPC1 | |
| Indole SCHEMBL31188952 | 0.76 | TRPA1 (0.63) | MAOACTNNB1WNT3AESR1NPC1 |
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 |