Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4063597 | 0.96 | ALDH1A1 (0.62) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL10500092 | 0.86 | ALDH1A1 (0.54) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL9432335 | 0.81 | ALDH1A1 (0.55) | ALDH1A1RECQLMAPK1ATMPKM | |
| SCHEMBL25331477 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL22204298 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL3771863 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL3768538 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL4897313 | 0.80 | ALDH1A1 (0.56) | ALDH1A1RECQLMAPK1NPSR1ATM | |
| SCHEMBL7425417 | 0.80 | CYP2C19 (0.47) | ALDH1A1KDM4ETHRBMEN1KMT2A | |
| SCHEMBL4795832 | 0.80 | ALDH1A1 (0.53) | ALDH1A1RECQLMAPK1NPSR1ATM |
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-1996036596-A1 | 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |