Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL7782176 | 0.86 | SLC6A3 (0.43) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL23215170 | 0.86 | SLC6A3 (0.47) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL615013 | 0.82 | CYP3A4 (0.38) | RAB9APOLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL14403245 | 0.82 | DRD2 (0.39) | SLC6A3SLC6A4POLBALDH1A1DRD2 | |
| SCHEMBL612754 | 0.81 | OPRM1 (0.43) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL17186970 | 0.81 | PDE2A (0.41) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL731991 | 0.79 | OPRL1 (0.49) | SLC6A3SLC6A2CHRNA1CHRNB1CHRNB2 | |
| SCHEMBL17186929 | 0.78 | SLC6A3 (0.49) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL613410 | 0.77 | DRD2 (0.55) | SLC6A3SLC6A4POLBMAPTHTT | |
| SCHEMBL15420336 | 0.77 | HDAC3 (0.38) | SLC6A3SLC6A2CHRNA1CHRNGCHRNB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888066-B1 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2012-01-11 | — | — | EP | disclosed |
| US-6153611-A | AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| US-5658941-A | PSYCHOLOGICAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0433836-B1 | Halophenyl substituted dioxanes | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5496847-A | ANXIOLYTIC AND ANTIDEPRESSANT | BRISTOL-MYERS SQUIBB CO. (US) | 1996-03-05 | — | — | US | disclosed |
| US-5391570-A | Anxiolytic agents; antidepressants | BRISTOL-MYERS SQUIBB (US) | 1995-02-21 | — | — | US | disclosed |
| US-5322638-A | Halophenyl substituted dioxanes | HOFFMANN-LA ROCHE INC. (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0433836-A2 | Halophenyl substituted dioxanes | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |