Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17114374 | 1.00 | SLC18A2 (0.45) | SLC18A2CYP1A2CYP2D6HIF1AAGTR2 | |
| SCHEMBL17114376 | 1.00 | SLC18A2 (0.45) | SLC18A2CYP1A2CYP2D6HIF1AAGTR2 | |
| SCHEMBL2603288 | 0.86 | SLC18A2 (0.49) | SLC18A2 | |
| SCHEMBL18751626 | 0.85 | CYP2D6 (0.44) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL18729768 | 0.84 | CYP2D6 (0.43) | SLC18A2CYP1A2CYP2D6HIF1A | |
| SCHEMBL20419217 | 0.84 | SLC18A2 (0.46) | SLC18A2 | |
| SCHEMBL4331452 | 0.84 | SLC18A2 (0.46) | SLC18A2CYP1A2CYP2D6HIF1A | |
| SCHEMBL17114344 | 0.84 | KDM4E (0.46) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL17114345 | 0.84 | KDM4E (0.46) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL17130331 | 0.84 | CYP2D6 (0.43) | SLC18A2CYP1A2CYP2D6HIF1A |
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-6534525-B1 | Method of using 2- substituted piperidine analogs as selectively active antagonist of N-methyl-D-aspartate (NMDA) receptor subtypes for treating conditions such as stroke, cerebral ischemia, central nervous system trauma, | WARNER-LAMBERT & COMPANY | 2003-03-18 | — | — | US | disclosed |
| US-6124317-A | ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS | WARNER-LAMBERT COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| WO-1997023215-A1 | 2-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |