Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26516042 | 0.85 | P2RY14 (0.56) | HTR2CKCNH2P2RY14HTR2AHTR2B | |
| SCHEMBL26114096 | 0.85 | P2RY14 (0.56) | HTR2CKCNH2P2RY14HTR2AHTR2B | |
| SCHEMBL22958179 | 0.85 | P2RY14 (0.56) | HTR2CKCNH2P2RY14HTR2AHTR2B | |
| SCHEMBL9776280 | 0.84 | SLC6A2 (0.38) | KCNH2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4894281 | 0.83 | HTR2C (0.57) | HTR2CP2RY14TACR1HTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL4894283 | 0.83 | HTR2C (0.57) | HTR2CP2RY14TACR1HTR2AHTR2B | |
| SCHEMBL12875674 | 0.79 | HTR2C (0.55) | HTR2CCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL18848434 | 0.79 | HTR2C (0.55) | HTR2CCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL16649226 | 0.79 | HTR2C (0.47) | HTR2CKCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14390239 | 0.77 | HTR2C (0.43) | HTR2CKCNH2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112513021-B | ROR gamma antagonist and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112513021-A | ROR gamma antagonist and application thereof in medicine | 广东东阳光药业有限公司 | 2021-03-16 | — | — | CN | disclosed |