Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 4/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.66 |
| ▸ | HTR1A | P08908 | 1/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.66 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.66 |
| ▸ | DRD1 | P21728 | 1/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.66 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.66 |
| ▸ | DRD3 | P35462 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28619401 | 1.00 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL28637337 | 1.00 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL28622638 | 0.99 | SLC6A3 (0.67) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL28622583 | 0.95 | SLC6A2 (0.69) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL7489656 | 0.86 | SLC6A2 (0.68) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL8050211 | 0.84 | CYP3A4 (0.47) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL28632940 | 0.83 | SLC6A2 (0.67) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| SCHEMBL28623956 | 0.81 | SLC6A3 (0.65) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| Drofenine SCHEMBL25124 | 0.80 | CHRM2 (1.00) | SLC6A2SLC6A3LMNACYP3A4TSHR | |
| Hexasonium SCHEMBL29385478 | 0.79 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4TSHR |
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-109457011-B | Method for splitting alpha-cyclopentylphenylacetic acid enantiomer through stereoselective enzymatic hydrolysis | 湖南理工学院 | 2021-09-07 | — | — | CN | disclosed |