Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | NQO1 | P15559 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29155357 | 1.00 | SLC6A4 (0.39) | SLC6A4SLC6A2SLC6A3NQO1ESR1 | |
| SCHEMBL29133191 | 0.84 | ESR1 (0.61) | ESR1ESR2MAPT | |
| SCHEMBL11612983 | 0.84 | TSHR (0.43) | SLC6A4SLC6A2SLC6A3NQO1ESR1 | |
| SCHEMBL28534680 | 0.79 | IDO1 (0.43) | SLC6A4SLC6A2SLC6A3TSHRLMNA | |
| SCHEMBL15120041 | 0.78 | TAAR1 (0.45) | SLC6A4SLC6A2SLC6A3TSHRACHE | |
| SCHEMBL23424814 | 0.78 | SLC6A2 (0.49) | SLC6A4SLC6A2SLC6A3NQO1ESR1 | |
| SCHEMBL9177068 | 0.77 | ESR1 (0.41) | SLC6A4SLC6A2SLC6A3NQO1ESR1 | |
| SCHEMBL29032589 | 0.77 | TACR1 (0.39) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2C19 | |
| SCHEMBL24423317 | 0.76 | ESR1 (0.48) | NQO1ESR1ESR2LMNAHTT | |
| SCHEMBL30876036 | 0.75 | ESR1 (0.61) | NQO1ESR1ESR2LMNAHTT |
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-117347518-A | Detection method for related substances of key starting materials of voathixetine | 山东京卫制药有限公司 | 2024-01-05 | — | — | CN | disclosed |