Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 7/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.81 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.81 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8377475 | 0.93 | KCNQ2 (0.67) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL1111017 | 0.90 | KCNQ2 (1.00) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL29381857 | 0.90 | KCNQ2 (1.00) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL7358470 | 0.85 | KCNQ2 (0.90) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL8381380 | 0.83 | KCNQ2 (0.76) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL13002456 | 0.80 | KCNQ2 (0.79) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL8058909 | 0.79 | KCNQ2 (0.78) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL8377502 | 0.77 | KCNQ2 (0.74) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| SCHEMBL12998025 | 0.76 | KCNQ2 (0.68) | KCNQ2CYP3A4ALOX15TSHRADRA1D | |
| Hydrochloric Acid SCHEMBL28745488 | 0.76 | KCNQ2 (0.72) | KCNQ2CYP3A4ALOX15TSHRADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| US-5750528-A | Blockade of neuronal m-channels as a therapeutic approach to the treatment of neurological disease | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-05-12 | — | — | US | claimed |
| WO-1994024131-A1 | NOVEL POLYCYCLIC SYSTEMS, AND DERIVATIVES THEREOF, AS NEUROTRANSMITTER RELEASE ENHANCER USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-27 | — | — | WO | claimed |
| US-5750528-A | Blockade of neuronal m-channels as a therapeutic approach to the treatment of neurological disease | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-05-12 | — | — | US | disclosed |
| US-5594001-A | Polycyclic systems, and derivatives thereof, as neurotransmitter release enhancers useful in the treatment of cognitive disorders | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1994024131-A1 | NOVEL POLYCYCLIC SYSTEMS, AND DERIVATIVES THEREOF, AS NEUROTRANSMITTER RELEASE ENHANCER USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-27 | — | — | WO | disclosed |