Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.53 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21748573 | 0.87 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1DRD4MCHR1 | |
| SCHEMBL13857680 | 0.82 | KCNA3 (0.60) | ADRA1DADRA1AADRA1BALDH1A1CARM1 | |
| SCHEMBL12424250 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL4875267 | 0.80 | ALDH1A1 (0.79) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL12859265 | 0.80 | KMT2A (0.64) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL14189783 | 0.80 | ALDH1A1 (0.59) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL4308106 | 0.80 | ALDH1A1 (0.59) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL9500234 | 0.78 | HTR2A (0.64) | ALDH1A1HTR2AHTR2CKCNH2KMT2A | |
| SCHEMBL2425554 | 0.78 | SIGMAR1 (0.78) | KMT2ADRD4MCHR1POLBSIGMAR1 | |
| SCHEMBL6232219 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HTR2AHTR2CKCNH2SIGMAR1 |
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-1874318-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113471-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |