Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10923787 | 1.00 | TSHR (0.44) | TSHRALDH1A1CYP3A4ACHEAPP | |
| SCHEMBL10919646 | 1.00 | TSHR (0.44) | TSHRALDH1A1CYP3A4ACHEAPP | |
| SCHEMBL29182959 | 0.98 | TSHR (0.41) | TSHRALDH1A1CYP3A4ACHEAPP | |
| SCHEMBL31531957 | 0.98 | TSHR (0.41) | TSHRALDH1A1CYP3A4ACHEAPP | |
| Ethylene Glycol SCHEMBL11055892 | 0.92 | TSHR (0.42) | TSHRALDH1A1CYP3A4ACHEAPP | |
| SCHEMBL11003628 | 0.92 | TSHR (0.50) | TSHRALDH1A1CYP3A4ACHEHCAR2 | |
| SCHEMBL11006969 | 0.92 | TSHR (0.50) | TSHRALDH1A1CYP3A4ACHEHCAR2 | |
| SCHEMBL11003632 | 0.92 | TSHR (0.50) | TSHRALDH1A1CYP3A4ACHEHCAR2 | |
| SCHEMBL11006987 | 0.92 | TSHR (0.50) | TSHRALDH1A1CYP3A4ACHEHCAR2 | |
| SCHEMBL759827 | 0.90 | TSHR (0.46) | TSHRALDH1A1CYP3A4HCAR2ATM |
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-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |