Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 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 | |
|---|---|---|---|---|
| SCHEMBL11741973 | 0.80 | CLK1 (0.39) | CLK1DYRK1ATNFKDM5AKDM4C | |
| SCHEMBL11747517 | 0.80 | CLK1 (0.39) | CLK1DYRK1ACYP1A2TNFKDM5A | |
| SCHEMBL10922562 | 0.79 | CLK1 (0.45) | CLK1DYRK1ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11743241 | 0.76 | CLK1 (0.41) | CLK1DYRK1AIMPDH2TNFGAA | |
| SCHEMBL11740941 | 0.75 | IMPDH2 (0.40) | CLK1DYRK1AIMPDH2TNFKDM5A | |
| SCHEMBL6794058 | 0.75 | CYP2A6 (0.50) | CLK1DYRK1AMAOAIMPDH2TNF | |
| Hydrochloric Acid SCHEMBL11741400 | 0.74 | IMPDH2 (0.39) | CLK1DYRK1AMAOAIMPDH2TNF | |
| Hydrochloric Acid SCHEMBL11737866 | 0.73 | CYP2A6 (0.48) | CLK1DYRK1AMAOAIMPDH2TNF | |
| SCHEMBL3704184 | 0.73 | CYP2A6 (0.54) | NOTUMCYP1A2GAA | |
| SCHEMBL11742621 | 0.72 | MAPT (0.45) | GAAHIPK2 |
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 |