Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6533654 | 0.86 | ALDH1A1 (0.55) | ALDH1A1ATMSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL5569430 | 0.82 | CACNA1H (0.46) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6463902 | 0.82 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6464188 | 0.82 | ALDH1A1 (0.52) | ALDH1A1ATMSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6467200 | 0.82 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL6465067 | 0.76 | ALDH1A1 (0.47) | ALDH1A1ATMSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL5567572 | 0.76 | CACNA1H (0.47) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5563125 | 0.75 | CACNA1C (0.47) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5568089 | 0.73 | CACNA1H (0.50) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5339211 | 0.71 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005009392-A2 | DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-03 | — | — | WO | claimed |