Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL858 | 0.93 | CYP2D6 (0.42) | CYP2D6CYP1A2KCNH2ADRA1ATSHR | |
| Hydrochloric Acid SCHEMBL10708013 | 0.91 | HTT (0.44) | CYP2D6CYP1A2KCNH2ADRA1ATSHR | |
| SCHEMBL468391 | 0.82 | HTT (0.35) | CYP2D6CYP1A2KCNH2ADRA1ATSHR | |
| SCHEMBL5536665 | 0.82 | IDO1 (0.45) | SLC6A2SLC6A4SLC6A3KMT2AIDO1 | |
| SCHEMBL5537752 | 0.82 | IDO1 (0.58) | CYP2D6CYP3A4CYP1A2KCNH2CYP2C19 | |
| SCHEMBL5545086 | 0.77 | ACP3 (0.46) | DRD3LMNAKMT2AIDO1MEN1 | |
| SCHEMBL29020277 | 0.77 | DUT (0.35) | CYP2D6CYP1A2KCNH2ADRA1ATSHR | |
| SCHEMBL5541595 | 0.77 | IDO1 (0.60) | IDO1KDM4ETDO2 | |
| SCHEMBL11352221 | 0.77 | UGT2B7 (0.42) | CYP2D6CYP3A4KCNH2SLC6A2SLC6A4 | |
| SCHEMBL15181483 | 0.76 | DPP4 (0.44) | CYP2D6ADRA2AHTR2AKMT2AIDO1 |
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-106164072-B | Monocyclic lactam organic compounds for the treatment of bacterial infections | 诺华股份有限公司 | 2019-10-01 | — | — | CN | disclosed |