Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | CLK2 | P49760 | 2/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL24426603 | 0.88 | KDR (0.43) | GRM5KDRCLK2CLK1CHRNB2 | |
| SCHEMBL68226 | 0.84 | — | — | |
| SCHEMBL18381090 | 0.80 | KDR (0.39) | GRM5KDRCLK2CLK1CHRNB2 | |
| SCHEMBL8262887 | 0.78 | GRM5 (0.39) | GRM5KDRCLK2CLK1CHRNB2 | |
| SCHEMBL31143287 | 0.78 | KDR (0.51) | GRM5KDRCLK2CLK1CHRNB2 | |
| SCHEMBL14127502 | 0.78 | KDR (0.51) | GRM5KDRCLK2CLK1CHRNB2 | |
| SCHEMBL19151683 | 0.77 | RAB9A (0.53) | GRM5ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL24129488 | 0.77 | GRM5 (0.44) | GRM5KDRALDH1A1 | |
| SCHEMBL24189390 | 0.76 | ALDH1A1 (0.59) | ALDH1A1MEN1MAPTKMT2AGAA | |
| SCHEMBL5769673 | 0.76 | GRM5 (0.40) | GRM5KDRCLK2CLK1CHRNB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012088124-A2 | TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011003021-A1 | AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011003012-A1 | AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011003007-A1 | AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | WO | disclosed |