Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11729296 | 0.82 | PAX8 (0.38) | PAX8CYP2D6CYP1A2ALDH1A1HTT | |
| SCHEMBL2035903 | 0.82 | CYP2D6 (0.35) | PAX8CYP2D6CYP1A2ALDH1A1HTT | |
| SCHEMBL8535698 | 0.76 | CYP2D6 (0.43) | CYP2D6CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3186827 | 0.70 | CYP2D6 (0.50) | CYP2D6CYP1A2ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL9007689 | 0.69 | PAX8 (0.49) | PAX8CYP2D6CYP1A2ALDH1A1HTT | |
| SCHEMBL27777922 | 0.68 | PAX8 (0.50) | PAX8ALDH1A1HTTMAPTTDP1 | |
| SCHEMBL59130 | 0.66 | ALDH1A1 (0.47) | PAX8CYP1A2ALDH1A1HTTMAPT | |
| SCHEMBL660755 | 0.66 | ALDH1A1 (0.53) | PAX8ALDH1A1HTTMAPTTDP1 | |
| SCHEMBL29052062 | 0.64 | PAX8 (0.44) | PAX8CYP2D6CYP1A2ALDH1A1HTT | |
| SCHEMBL9550095 | 0.64 | KMT2A (0.44) | PAX8ALDH1A1HTTMAPTTDP1 |
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 |