Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 7/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL69283 | 0.98 | SLC6A2 (0.55) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL163773 | 0.96 | ESR1 (0.55) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL20425314 | 0.96 | ESR1 (0.55) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL983099 | 0.93 | SLC6A2 (0.55) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL10615463 | 0.90 | ESR1 (0.54) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL231792 | 0.89 | ESR1 (0.61) | SLC6A2ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL318537 | 0.86 | SLC6A2 (0.74) | SLC6A2SLC6A3SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL924819 | 0.86 | SLC6A2 (0.74) | SLC6A2SLC6A3SLC6A4CYP1A2CYP2C19 | |
| SCHEMBL6686176 | 0.85 | ESR1 (0.76) | SLC6A2SLC6A3SLC6A4ESR1ESR2 | |
| SCHEMBL29186068 | 0.85 | ADRB2 (0.47) | SLC6A2SLC6A3SLC6A4ESR1ESR2 |
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-103936537-B | A kind of phenol of golden catalysis and the selectivity c h bond functionalization method of aniline | EAST CHINA NORMAL UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |