Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | PGR | P06401 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833019 | 0.87 | CACNA1C (0.64) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL9831568 | 0.84 | ADORA3 (0.51) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL9835820 | 0.81 | CA1 (0.64) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL10660322 | 0.80 | ADORA3 (0.60) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL11094994 | 0.80 | CA1 (0.64) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL11864075 | 0.79 | CA1 (0.58) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL3017208 | 0.79 | CYP2C9 (0.73) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL3027183 | 0.79 | ADORA3 (0.59) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL2995373 | 0.79 | ADORA3 (0.59) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 | |
| SCHEMBL3023683 | 0.79 | ADORA3 (0.59) | ADORA3KDM4ECYP2C9HSD17B10CYP3A4 |
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-0163238-B1 | SUBSTITUTED AND BRIDGED PYRIDINES USEFUL AS PHARMACEUTICAL AGENTS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-4579851-A | HYPOTENSIVE, ANTIARRHYTHMIA AGENTS | MERCK & CO., INC. (US) | 1986-04-01 | — | — | US | disclosed |
| EP-0163238-A2 | Substituted and bridged pyridines useful as pharmaceutical agents | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | disclosed |