Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | ARG2 | P78540 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560399 | 0.89 | KMT2A (0.35) | CYP2D6KDM4EALDH1A1SLC29A1ARG1 | |
| SCHEMBL8560879 | 0.83 | KDM4E (0.51) | CYP2D6SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL8562390 | 0.81 | CYP2D6 (0.54) | CYP2D6SMN1; SMN2KDM4EALDH1A1HRH3 | |
| SCHEMBL1301323 | 0.80 | HRH3 (0.49) | CYP2D6SMN1; SMN2KDM4EALDH1A1SLC29A1 | |
| SCHEMBL8561623 | 0.79 | LMNA (0.46) | SMN1; SMN2KDM4EALDH1A1HRH3MEN1 | |
| Hydrochloric Acid SCHEMBL1950623 | 0.79 | HRH3 (0.48) | CYP2D6SMN1; SMN2KDM4EALDH1A1SLC29A1 | |
| SCHEMBL8560963 | 0.79 | KDM4E (0.52) | SMN1; SMN2KDM4EALDH1A1GAAHRH3 | |
| SCHEMBL8568373 | 0.76 | HRH3 (0.52) | SMN1; SMN2KDM4EALDH1A1HRH3MEN1 | |
| SCHEMBL27373236 | 0.76 | CYP1A2 (0.42) | SMN1; SMN2KDM4EALDH1A1ARG1ARG2 | |
| SCHEMBL10388024 | 0.75 | HRH3 (0.46) | CYP2D6SMN1; SMN2KDM4EALDH1A1SLC29A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705497-A | INOTROPIC, ANTIARRHYTHMIA AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-01-06 | — | — | US | disclosed |