Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 3/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.39 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.39 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7385736 | 1.00 | TSHR (0.43) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7356825 | 0.94 | ACE (0.49) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7360413 | 0.93 | ACE (0.46) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7382519 | 0.86 | ACE (0.42) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7377944 | 0.85 | MME (0.51) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7379670 | 0.84 | ACE (0.55) | ACEMMEALDH1A1 | |
| SCHEMBL7381909 | 0.84 | ACE (0.55) | ACEMMEALDH1A1 | |
| SCHEMBL7380730 | 0.82 | MME (0.50) | TSHRACEMMESIGMAR1ALDH1A1 | |
| SCHEMBL7384424 | 0.80 | ACE (0.51) | ACEMME | |
| SCHEMBL7378829 | 0.78 | ACE (0.46) | TSHRACEMMEALDH1A1MMP1 |
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-0640086-A1 | NOVEL MERCAPTOACETYLAMIDO PYRIDAZO 1,2]PYRIDAZINE, PYRAZOLO 1,2]PYRIDAZINE, PYRIDAZO 1,2-a] 1,2]DIAZEPINE AND PYRAZOLO 1,2-a] 1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL PHARMACEUTICALS INC. (US) | 1995-03-01 | — | — | EP | disclosed |
| US-5366973-A | Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-22 | — | — | US | disclosed |
| WO-1993023403-A1 | NOVEL MERCAPTOACETYLAMIDO PYRIDAZO[1,2]PYRIDAZINE, PYRAZOLO[1,2]PYRIDAZINE, PYRIDAZO[1,2-a][1,2]DIAZEPINE AND PYRAZOLO[1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-11-25 | — | — | WO | disclosed |