Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL6463908 | 0.88 | ALDH1A1 (0.44) | ALDH1A1GAASMN1; SMN2L3MBTL1PKM | |
| SCHEMBL6533656 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAASMN1; SMN2L3MBTL1PKM | |
| SCHEMBL6465067 | 0.78 | ALDH1A1 (0.47) | ALDH1A1GAASMN1; SMN2L3MBTL1HTT | |
| SCHEMBL5569062 | 0.74 | CACNA1H (0.42) | MEN1KMT2APOLBADRA2AADRA2B | |
| SCHEMBL19732964 | 0.66 | ALDH1A1 (0.63) | ALDH1A1GAASMN1; SMN2L3MBTL1PKM | |
| SCHEMBL8108247 | 0.66 | ALDH1A1 (0.63) | ALDH1A1GAASMN1; SMN2L3MBTL1PKM | |
| SCHEMBL6463902 | 0.65 | ALDH1A1 (0.54) | ALDH1A1GAASMN1; SMN2L3MBTL1PKM | |
| SCHEMBL28789247 | 0.62 | MEN1 (0.62) | GAASMN1; SMN2HTTMAPTMEN1 | |
| SCHEMBL5567236 | 0.61 | CACNA1H (0.47) | ALDH1A1ADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL21628603 | 0.61 | SMN1; SMN2 (0.56) | ALDH1A1GAASMN1; SMN2MEN1KMT2A |
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 |