Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.58 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.58 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041441 | 0.89 | MTNR1A (0.61) | MTNR1AMTNR1BCASRGPR139L3MBTL1 | |
| SCHEMBL27555215 | 0.87 | MTNR1A (0.63) | MTNR1AMTNR1BCASRGPR139L3MBTL1 | |
| SCHEMBL28617579 | 0.86 | EPHX1 (0.65) | MTNR1AMTNR1BCASRGPR139L3MBTL1 | |
| SCHEMBL29609868 | 0.86 | EPHX1 (0.65) | MTNR1AMTNR1BCASRGPR139L3MBTL1 | |
| SCHEMBL7042372 | 0.86 | MTNR1A (0.62) | MTNR1AMTNR1BCASRGPR139CRHBP | |
| SCHEMBL6588762 | 0.84 | LDHA (0.57) | CASRALDH1A1USP2PPARGPPARA | |
| SCHEMBL10634318 | 0.82 | AKR1C3 (0.52) | MTNR1AMTNR1BL3MBTL1TDP1 | |
| SCHEMBL8965432 | 0.82 | MTNR1A (0.54) | MTNR1AMTNR1BCASRGPR139L3MBTL1 | |
| SCHEMBL16013737 | 0.81 | ALDH1A1 (0.53) | MTNR1AMTNR1BALDH1A1LMNA | |
| SCHEMBL27871549 | 0.80 | MTNR1A (0.55) | MTNR1AMTNR1BCASRL3MBTL1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629347-A | TACHYKININ ANTAGONIST USED IN TREATMENT OF INFLAMMATION, MIGRAINE, POSTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 1997-05-13 | — | — | US | disclosed |
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |
| EP-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |