Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | PRSS12 | P56730 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 3/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 5/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19512000 | 0.85 | AKR1C2 (0.56) | AKR1C2AKR1C1ACLYPRSS12HCAR2 | |
| SCHEMBL19511998 | 0.83 | ACLY (0.56) | AKR1C2AKR1C1ACLYHCAR2RARB | |
| SCHEMBL19512020 | 0.81 | AKR1C2 (0.46) | AKR1C2AKR1C1KCNH2MEN1KMT2A | |
| SCHEMBL19512104 | 0.81 | LMNA (0.50) | AKR1C2AKR1C1ACLYRARBRARA | |
| SCHEMBL19512112 | 0.77 | HCAR2 (0.56) | AKR1C2AKR1C1PRSS12HCAR2RARB | |
| SCHEMBL19512005 | 0.76 | KDM4E (0.57) | AKR1C2AKR1C1PRSS12PLK1PLK3 | |
| SCHEMBL19511947 | 0.75 | HCAR2 (0.56) | AKR1C2AKR1C1ACLYHCAR2RARB | |
| SCHEMBL19512123 | 0.74 | KDM4E (0.49) | AKR1C2AKR1C1ACLYMEN1KMT2A | |
| SCHEMBL19512011 | 0.74 | MEN1 (0.49) | AKR1C2AKR1C1HCAR2MEN1KMT2A | |
| SCHEMBL19512102 | 0.74 | KDM4E (0.47) | AKR1C2AKR1C1HCAR2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020115019-A1 | KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2020-06-11 | — | — | WO | disclosed |