Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25202151 | 0.78 | ALDH1A1 (0.32) | ALDH1A1TSHRTPMTTACR1CYP19A1 | |
| SCHEMBL29278635 | 0.76 | HTT (0.33) | ALDH1A1TSHRHTTNPSR1 | |
| Hydrochloric Acid SCHEMBL30492669 | 0.76 | ALDH1A1 (0.31) | ALDH1A1TSHRTPMTTACR1 | |
| SCHEMBL14607513 | 0.76 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL28835042 | 0.76 | TACR1 (0.37) | ALDH1A1TSHRTACR1 | |
| SCHEMBL28266226 | 0.76 | HTT (0.37) | ALDH1A1HTTNPSR1 | |
| SCHEMBL9330269 | 0.75 | CYP19A1 (0.46) | CYP2C19CYP19A1 | |
| SCHEMBL25203168 | 0.75 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL7202914 | 0.75 | ESR1 (0.43) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| Hydrochloric Acid SCHEMBL25209577 | 0.75 | HTT (0.32) | HTTNPSR1 |
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-109400777-A | Vanadium complex and its preparation method and application based on acenaphthenequinone diimine ligand | 河北师范大学 | 2019-03-01 | — | — | CN | disclosed |