Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9378728 | 0.87 | KCNQ2 (0.60) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8377631 | 0.83 | KCNQ2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| Acetic Acid SCHEMBL8380579 | 0.81 | KCNQ2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8378784 | 0.80 | KCNQ2 (0.46) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL8377628 | 0.79 | KCNQ2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8380581 | 0.78 | KCNQ2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8378999 | 0.76 | KCNQ2 (0.60) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8381590 | 0.76 | CYP1A2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8733218 | 0.76 | CYP1A2 (0.46) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 | |
| SCHEMBL8736238 | 0.74 | CYP1A2 (0.43) | KCNQ2CYP3A4CYP1A2CYP2C9ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990132-A | ?CORE GROUP? TRICYCLIC RING SYSTEM OF GIVEN FORMULA A-C-B FORMED BY A AND B, 5- OR SIX MEMBERED CARBOCYCLIC, OR HETEROCYCLIC RINGS, AND THE CENTRAL SIX-MEMBERED SULFUR CONTAINING RING C; DISUBSTITUTED WITH PYRIDINE GROUPS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-11-23 | — | — | 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 |