Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.48 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.48 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.48 |
| ▸ | UBE2N | P61088 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11801987 | 0.88 | GAA (0.54) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL10849135 | 0.79 | ACHE (0.54) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL11778065 | 0.79 | UBE2N (0.47) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL11804240 | 0.79 | SIRT3 (0.50) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL11522796 | 0.78 | CACNA1D (0.64) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL10684386 | 0.78 | ADORA3 (0.75) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL11688373 | 0.78 | DHFR (0.61) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL14616736 | 0.76 | ADORA3 (0.85) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL14576820 | 0.76 | ADORA3 (0.68) | GAAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL3028393 | 0.76 | GAA (0.66) | GAAKDM4EALDH1A1LMNAHPGD |
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-4002762-A | 2-Amino-3,4-dihydropyridines used to effect coronary vessel dilation and treat hypertension | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |
| US-4001252-A | HYPOTENSIVES, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |