Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5861445 | 0.92 | CASP1 (0.59) | CASP1MMP8PIN1KMT2AMEN1 | |
| SCHEMBL1717197 | 0.84 | CASP1 (0.43) | CASP1HPGDALOX15MMP8PIN1 | |
| SCHEMBL9610107 | 0.81 | CYP1A2 (0.40) | CASP1HPGDALOX15MMP8KMT2A | |
| SCHEMBL8027004 | 0.81 | CYP3A4 (0.47) | HPGDALOX15KMT2AMEN1ALDH1A1 | |
| SCHEMBL13228090 | 0.81 | CASP1 (0.49) | CASP1MMP8PIN1KMT2AMEN1 | |
| SCHEMBL8105959 | 0.81 | POLB (0.47) | MMP8PIN1KMT2AMEN1TSHR | |
| SCHEMBL4632797 | 0.80 | CASP1 (0.70) | CASP1MMP8PIN1KMT2AMEN1 | |
| SCHEMBL4632799 | 0.80 | CASP1 (0.70) | CASP1MMP8PIN1KMT2AMEN1 | |
| SCHEMBL5322140 | 0.80 | CASP1 (0.57) | CASP1HPGDMMP8PIN1KMT2A | |
| SCHEMBL10708969 | 0.80 | CASP1 (0.57) | CASP1HPGDPIN1KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5100897-A | Hypotensive agents, congestive heart failure, ocular hypertension | MERCK & CO., INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0419048-A2 | Substituted pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-03-27 | — | — | EP | disclosed |