Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562390 | 0.98 | CYP2D6 (0.54) | KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL8568373 | 0.92 | HRH3 (0.52) | KDM4ESMN1; SMN2ALDH1A1POLBMEN1 | |
| SCHEMBL8564311 | 0.88 | KMT2A (0.49) | KDM4ESMN1; SMN2ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL10388024 | 0.86 | HRH3 (0.46) | KDM4ESMN1; SMN2ALDH1A1CYP2D6MAPK1 | |
| SCHEMBL10386591 | 0.86 | KMT2A (0.51) | KDM4EALDH1A1CYP2D6CYP1A2MAPK1 | |
| SCHEMBL1301323 | 0.85 | HRH3 (0.49) | KDM4ESMN1; SMN2ALDH1A1CYP2D6MAPK1 | |
| SCHEMBL8560963 | 0.83 | KDM4E (0.52) | KDM4ESMN1; SMN2ALDH1A1CYP1A2MAPK1 | |
| Hydrochloric Acid SCHEMBL1950623 | 0.83 | HRH3 (0.48) | KDM4ESMN1; SMN2ALDH1A1CYP2D6MAPK1 | |
| SCHEMBL8560406 | 0.83 | CYP2D6 (0.38) | KDM4ESMN1; SMN2ALDH1A1CYP2D6MAPK1 | |
| SCHEMBL8561623 | 0.83 | LMNA (0.46) | KDM4ESMN1; SMN2ALDH1A1MAPTMEN1 |
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 |