Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22462939 | 0.91 | DAO (0.47) | SLC6A4MGLLDAOSLC6A2SLC6A3 | |
| SCHEMBL29511868 | 0.91 | DAO (0.47) | SLC6A4MGLLDAOSLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL28530981 | 0.86 | MGLL (0.46) | SLC6A4MGLLSLC6A2SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL21723012 | 0.85 | SLC6A4 (0.46) | SLC6A4MGLLSLC6A2SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL22462839 | 0.84 | LIPG (0.39) | SLC6A4MGLLSLC6A2SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL31071611 | 0.82 | IDO1 (0.45) | SLC6A4DAOSLC6A2SLC6A3IDO1 | |
| SCHEMBL25944704 | 0.80 | HTR2A (0.38) | SLC6A4MGLLDAOSLC6A2SLC6A3 | |
| SCHEMBL21723030 | 0.80 | HTR2A (0.43) | SLC6A4MGLLDAOSLC6A2SLC6A3 | |
| SCHEMBL29712505 | 0.80 | HTR2A (0.43) | SLC6A4MGLLDAOSLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL23152297 | 0.79 | IDO1 (0.47) | SLC6A4MGLLDAOSLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |