Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30826795 | 0.78 | PIK3CA (0.60) | ALDH1A1KDM4EHPGDGAASMN1; SMN2 | |
| SCHEMBL21464208 | 0.78 | PIK3CA (0.60) | ALDH1A1KDM4EHPGDGAASMN1; SMN2 | |
| SCHEMBL457291 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDNPC1GAA | |
| SCHEMBL13728496 | 0.75 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDNPC1GAA | |
| Hydrochloric Acid SCHEMBL4785127 | 0.74 | SMN1; SMN2 (0.46) | ALDH1A1KDM4EHPGDNPC1GAA | |
| SCHEMBL4745132 | 0.74 | ACHE (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30827905 | 0.74 | ACHE (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1443211 | 0.74 | PIK3CA (0.53) | ALDH1A1KDM4EHPGDNPC1GAA | |
| SCHEMBL4658288 | 0.73 | ACHE (0.56) | ALDH1A1HPGDNPC1RAB9AMEN1 | |
| SCHEMBL4120999 | 0.72 | SMN1; SMN2 (0.64) | ALDH1A1KDM4EHPGDNPC1GAA |
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-2008117079-A1 | ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE | HELPERBY THERAPEUTICS LIMITED (GB) | 2008-10-02 | — | — | WO | disclosed |