Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6465916 | 0.86 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL6463902 | 0.86 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL6467200 | 0.83 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL5567241 | 0.81 | CACNA1H (0.50) | CACNA1C | |
| SCHEMBL6464188 | 0.80 | ALDH1A1 (0.52) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL6465067 | 0.80 | ALDH1A1 (0.47) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL5568429 | 0.75 | CACNA1H (0.46) | MAPTCACNA1C | |
| SCHEMBL6528072 | 0.74 | ALDH1A1 (0.54) | ALDH1A1ATMSMN1; SMN2HTTMAPT | |
| SCHEMBL5568065 | 0.73 | CACNA1H (0.51) | CACNA1C | |
| SCHEMBL6533656 | 0.73 | ALDH1A1 (0.47) | ALDH1A1ATMSMN1; SMN2HTTMAPT |
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 | disclosed |