Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | FPR1 | P21462 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.45 |
| ▸ | GPR183 | P32249 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602815 | 1.00 | TACR1 (0.49) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7027770 | 0.92 | TACR1 (0.42) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7023015 | 0.92 | TACR1 (0.59) | TACR1HTR2AHTR2CSLC6A4HTR2B | |
| SCHEMBL7023013 | 0.92 | TACR1 (0.59) | TACR1HTR2AHTR2CSLC6A4HTR2B | |
| SCHEMBL271095 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5220886 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL265353 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL12991595 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL264332 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL14900670 | 0.91 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0777659-B1 | MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2001-06-06 | — | — | EP | disclosed |
| US-5824678-A | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS; PREPARATION THEREOF | MERCK SHARP & DOHME LTD. (GB) | 1998-10-20 | — | — | US | disclosed |
| US-5612337-A | ANALGESIC COMPOUNDS FOR PRODRUGS | MERCK SHARP & DOHME LIMITED (GB) | 1997-03-18 | — | — | US | disclosed |