Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11741400 | 0.98 | IMPDH2 (0.39) | IMPDH2CLK1DYRK1ACYP11B1CYP11B2 | |
| SCHEMBL11741973 | 0.80 | CLK1 (0.39) | CLK1DYRK1ACYP11B1CYP11B2POLB | |
| SCHEMBL11736162 | 0.80 | CLK1 (0.39) | CLK1DYRK1ACYP11B1CYP11B2TNF | |
| SCHEMBL6644857 | 0.79 | CLK1 (0.45) | IMPDH2CLK1DYRK1APOLBTNF | |
| SCHEMBL11742249 | 0.78 | PDE10A (0.41) | CLK1DYRK1ATNFKDM5AL3MBTL1 | |
| SCHEMBL11179959 | 0.76 | IMPDH2 (0.43) | IMPDH2CLK1DYRK1ACYP11B1CYP11B2 | |
| SCHEMBL11740295 | 0.75 | NOTUM (0.39) | IMPDH2CLK1DYRK1ATNFKDM5A | |
| SCHEMBL6794058 | 0.75 | CYP2A6 (0.50) | IMPDH2CLK1DYRK1ACYP11B1CYP11B2 | |
| SCHEMBL5660797 | 0.74 | TNF (0.49) | TNFKDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL11740037 | 0.73 | DHODH (0.40) | NPC1POLBTNFCSNK2A1HIPK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4062961-A | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES | SMITHKLINE CORPORATION (US) | 1977-12-13 | — | — | US | disclosed |
| US-3988339-A | 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE | SMITHKLINE CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |