Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28363805 | 0.81 | CYP2D6 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130576 | 0.81 | SLC6A3 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19SLC6A3 | |
| SCHEMBL12130554 | 0.80 | HRH3 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130449 | 0.80 | HRH3 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL5163007 | 0.79 | POLB (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130553 | 0.78 | SLC6A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19SLC6A3 | |
| SCHEMBL12130607 | 0.77 | MEN1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL11064002 | 0.75 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3892465 | 0.74 | NAAA (0.41) | CYP2D6CYP2C19HRH3MEN1KMT2A | |
| SCHEMBL12130611 | 0.74 | LTA4H (0.47) | SLC6A3LTA4HSLC6A4HRH3SLC6A2 |
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 |