Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8414022 | 1.00 | TSHR (0.48) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL8674396 | 1.00 | TSHR (0.48) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL1265907 | 1.00 | TSHR (0.48) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL1265905 | 1.00 | TSHR (0.48) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL14721383 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL16422529 | 0.81 | KDM1A (0.37) | SLC6A2SLC6A4SLC6A3MAOBKDM1A | |
| SCHEMBL17158493 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3SLC18A3 | |
| SCHEMBL14731159 | 0.81 | ESR2 (0.32) | — | |
| SCHEMBL16422528 | 0.81 | KDM1A (0.37) | SLC6A2SLC6A4SLC6A3MAOBKDM1A | |
| SCHEMBL1195857 | 0.81 | TSHR (0.64) | TSHRSLC6A2SLC6A4SLC6A3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5807926-A | OXIDO-REDUCTO SYNTHESIS | MCGILL UNIVERSITY (CA) | 1998-09-15 | — | — | US | disclosed |