Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL11733733 | 0.82 | PAX8 (0.39) | PAX8CYP2D6POLBMCOLN3CYP1A2 | |
| SCHEMBL2035903 | 0.79 | CYP2D6 (0.35) | PAX8CYP2D6POLBMCOLN3CYP1A2 | |
| SCHEMBL8535698 | 0.77 | CYP2D6 (0.43) | CYP2D6CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5141131 | 0.73 | TDP1 (0.40) | POLBALDH1A1HTTMAPTTDP1 | |
| SCHEMBL29657255 | 0.70 | TDP1 (0.34) | CYP2D6CYP1A2ALDH1A1MAPTTDP1 | |
| SCHEMBL23356557 | 0.69 | TDP1 (0.36) | POLBALDH1A1MAPTTDP1SMN1; SMN2 | |
| SCHEMBL9007689 | 0.69 | PAX8 (0.49) | PAX8CYP2D6POLBMCOLN3CYP1A2 | |
| SCHEMBL27777922 | 0.67 | PAX8 (0.50) | PAX8POLBMCOLN3ALDH1A1HTT | |
| SCHEMBL3186827 | 0.66 | CYP2D6 (0.50) | CYP2D6CYP1A2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL59130 | 0.65 | ALDH1A1 (0.47) | PAX8POLBMCOLN3CYP1A2ALDH1A1 |
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-4022900-A | Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents | MARION LABORATORIES, INC. (US) | 1977-05-10 | — | — | US | disclosed |