Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7246303 | 0.81 | HTR2A (0.38) | ALDH1A1SMN1; SMN2HTR2AMAPTPOLB | |
| SCHEMBL3898023 | 0.81 | HTR2A (0.38) | ALDH1A1SMN1; SMN2HTR2AMAPTPOLB | |
| SCHEMBL3897013 | 0.74 | KCNA3 (0.44) | — | |
| SCHEMBL3897017 | 0.74 | KCNA3 (0.44) | — | |
| SCHEMBL20625250 | 0.70 | GAA (0.51) | ALDH1A1SMN1; SMN2HTR2AMAPTPOLB | |
| SCHEMBL2803614 | 0.68 | CYP1A2 (0.49) | ALDH1A1SMN1; SMN2HTR2AMAPTPOLB | |
| SCHEMBL2722317 | 0.68 | CYP1A2 (0.49) | ALDH1A1SMN1; SMN2HTR2AMAPTPOLB | |
| SCHEMBL30773543 | 0.68 | CYP1A2 (0.43) | ALDH1A1HTR2AMAPTPOLBCYP2C9 | |
| SCHEMBL3895390 | 0.68 | KCNA3 (0.66) | — | |
| SCHEMBL21058173 | 0.67 | GAA (0.46) | ALDH1A1SMN1; SMN2HTR2AMAPTMGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1143965-B1 | CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1143965-A4 | CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| EP-1143965-A1 | CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000025770-A1 | CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |