Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LDHA | P00338 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | FOS | P01100 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060504 | 0.86 | KDM4E (0.59) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL23966140 | 0.84 | LDHA (0.57) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL16973582 | 0.83 | LDHA (0.53) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL9026890 | 0.82 | LDHA (0.60) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL5494607 | 0.82 | LDHA (0.60) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL10437147 | 0.82 | KDM4E (0.58) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL2564908 | 0.81 | LDHA (0.59) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL3371646 | 0.81 | LDHA (0.59) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL31545527 | 0.81 | LDHA (0.59) | ATMKDM4ELDHAALOX15ALOX12 | |
| SCHEMBL31545634 | 0.81 | LDHA (0.59) | ATMKDM4ELDHAALOX15ALOX12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4853383-A | β-blocking substituted imidazoles | MERCK & CO., INC. (US) | 1989-08-01 | — | — | US | disclosed |
| US-4642311-A | β-adrenergic blocking imidazolylphenoxy propanolamines | MERCK & CO., INC. (US) | 1987-02-10 | — | — | US | disclosed |
| US-4567276-A | HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1986-01-28 | — | — | US | disclosed |
| US-4440774-A | ANTIHYPERTENSIVE AGENTS AND B-ANDRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1984-04-03 | — | — | US | disclosed |