Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 | P42262 | 3/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 2/20 | 0.31 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12401191 | 0.75 | ADRB1 (0.37) | ADRA2AADRA2CADRA1DADRA1AADRA1B | |
| SCHEMBL12078671 | 0.75 | PDE3B (0.36) | GRIA2ADRA2AADRA2CADRA1DADRA1A | |
| SCHEMBL4786408 | 0.71 | DRD2 (0.37) | ADRA1DADRA1AADRA1BALDH1A1CMA1 | |
| SCHEMBL9739386 | 0.71 | CYP2C19 (0.43) | KDM4ECYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL12401182 | 0.69 | HTR2A (0.32) | ADRB1 | |
| SCHEMBL17585073 | 0.68 | CD274 (0.43) | ADRA2AADRA2CADRA2BADRB1 | |
| Hydrochloric Acid SCHEMBL17583899 | 0.67 | CD274 (0.42) | ADRA2AADRA2CADRA2BADRB1 | |
| SCHEMBL27405855 | 0.64 | AHR (0.32) | ADRA2AADRA1AKDM4ECYP3A4CYP2D6 | |
| SCHEMBL15657240 | 0.63 | LMNA (0.42) | KDM4EKMT2ASMN1; SMN2ACACBHTT | |
| SCHEMBL3874618 | 0.63 | MEN1 (0.44) | CYP3A4TSHRALDH1A1AHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1931636-A1 | ISOQUINOLINES AS IGF-1R INHIBITORS | Analytecon S.A. (CH) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007029106-A1 | ISOQUINOLINES AS IGF-1R INHIBITORS | ANALYTECON SA (CH) | 2007-03-15 | — | — | WO | disclosed |