Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CLK2 | P49760 | 1/20 | 0.54 |
| ▸ | CLK3 | P49761 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PRNP | P04156 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11733212 | 0.99 | ALDH1A1 (0.64) | ALDH1A1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL6293964 | 0.97 | ALDH1A1 (0.67) | ALDH1A1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL6293571 | 0.85 | ROCK2 (0.77) | ALDH1A1SMN1; SMN2ROCK2CYP3A4KMT2A | |
| SCHEMBL6293636 | 0.84 | ROCK2 (0.60) | ALDH1A1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL6298333 | 0.82 | ROCK2 (0.66) | LMNASMN1; SMN2ROCK2CYP3A4ABCB1 | |
| SCHEMBL6294893 | 0.82 | ROCK2 (0.65) | ALDH1A1KDM4EGAALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6294010 | 0.81 | ROCK2 (0.64) | ALDH1A1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL6299453 | 0.80 | NPC1 (0.65) | ROCK2CYP3A4ABCB1POLB | |
| SCHEMBL6298384 | 0.80 | ROCK2 (0.65) | ROCK2CYP3A4ABCB1POLBCLK2 | |
| SCHEMBL6293954 | 0.80 | ROCK2 (0.77) | KDM4ESMN1; SMN2ROCK2CYP3A4KMT2A |
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 |