Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 4/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.68 |
| ▸ | TP53 | P04637 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.68 |
| ▸ | MPO | P05164 | 1/20 | 0.68 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.68 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.68 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.68 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL27513683 | 0.88 | GRK2 (0.64) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| Hydrochloric Acid SCHEMBL10840525 | 0.86 | GRK2 (0.78) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| Hydrochloric Acid SCHEMBL10840937 | 0.85 | GRK2 (0.69) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL14607952 | 0.84 | GRK2 (0.98) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL2739113 | 0.84 | GRK2 (0.98) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL12086564 | 0.84 | GRK2 (0.98) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL8266168 | 0.84 | GRK2 (0.98) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL20336659 | 0.83 | GRK2 (0.63) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL9397480 | 0.83 | GRK2 (0.66) | GRK2SLC6A4CYP3A4SLC6A2TP53 | |
| SCHEMBL1153008 | 0.82 | GRK2 (0.68) | GRK2SLC6A4CYP3A4SLC6A2TP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |
| EP-0266574-B1 | Piperidine compounds and their preparation and use | NOVO NORDISK AS (DK) | 1994-01-05 | — | — | EP | disclosed |
| US-5019582-A | Preventing Calcium Overload In Brain Cells | NOVO NORDISK A/S (DK) | 1991-05-28 | — | — | US | disclosed |
| US-4985446-A | CALCIUM OVERLOAD BLOCKERS IN BRAIN CELLS | A/S FERROSAN (DK) | 1991-01-15 | — | — | US | disclosed |
| US-4877799-A | Method of treating calcium overload in brain cells of mammals | A/S FERROSAN (DK) | 1989-10-31 | — | — | US | disclosed |