Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | YES1 | P07947 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL126600 | 0.90 | AR (0.52) | CYP19A1ARMAOAMAOBPSMB5 | |
| SCHEMBL27542946 | 0.89 | AR (0.41) | CYP19A1ARMAOAMAOBPSMB5 | |
| SCHEMBL5088610 | 0.89 | CYP19A1 (0.47) | CYP19A1ARAKT1MAOAMAOB | |
| SCHEMBL27639659 | 0.87 | ESR2 (0.51) | CYP19A1ARMAOAMAOBPSMB5 | |
| SCHEMBL27515714 | 0.85 | ALDH1A1 (0.44) | CYP19A1ARALDH1A1NPC1MAPT | |
| SCHEMBL27543000 | 0.83 | ESR2 (0.44) | CYP19A1ARMAOAMAOBPSMB5 | |
| SCHEMBL27639658 | 0.82 | FABP5 (0.44) | ARMAOAMAOBALDH1A1GAA | |
| SCHEMBL27541883 | 0.82 | ESR1 (0.43) | CYP19A1ARMAOAMAOBESR2 | |
| SCHEMBL5082125 | 0.79 | AR (0.53) | CYP19A1ARMAOAMAOBPSMB5 | |
| SCHEMBL7195895 | 0.79 | ALDH1A1 (0.50) | CYP19A1MAOBCYP3A4ALDH1A1ADORA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040086983-A1 | Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase | MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) | 2004-05-06 | — | — | US | claimed |
| CN-100457752-C | Pyridine derivatives useful for inhibiting sodium/calcium exchange system | ORION CORP (FI) | 2009-02-04 | — | — | CN | disclosed |
| CN-1281597-C | New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias | ORION CORP (FI) | 2006-10-25 | — | — | CN | disclosed |
| CN-1745078-A | Pyridine derivatives useful for inhibiting sodium/calcium exchange system | ORION CORP (FI) | 2006-03-08 | — | — | CN | disclosed |
| CN-1525966-A | New compounds, which are potent inhibitors of Na<+>/Ca<2+> exchange mechanism and are useful in the treatment of arrhythmias | — | 2004-09-01 | — | — | CN | disclosed |
| US-20040086983-A1 | Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase | MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) | 2004-05-06 | — | — | US | disclosed |