Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.52 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676554 | 0.89 | SLC6A4 (0.58) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5444533 | 0.83 | SLC6A4 (1.00) | SLC6A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL16226720 | 0.83 | SLC6A4 (0.68) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3715253 | 0.82 | CYP1A2 (1.00) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5755490 | 0.81 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL113896 | 0.81 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL6604030 | 0.81 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10601133 | 0.81 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL9366741 | 0.80 | CYP1A2 (0.96) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10366446 | 0.79 | SLC6A4 (0.51) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 |
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 |