Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | EDNRA | P25101 | 2/20 | 0.51 |
| ▸ | EDNRB | P24530 | 1/20 | 0.51 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16551868 | 0.85 | PIK3CA (0.55) | KEAP1NFE2L2ALDH1A1LMNAHTT | |
| SCHEMBL22447721 | 0.84 | GLO1 (0.46) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL22447546 | 0.84 | CCR4 (0.59) | ALDH1A1LMNA | |
| SCHEMBL15556197 | 0.84 | MTOR (0.55) | ALDH1A1 | |
| SCHEMBL15648432 | 0.84 | PIK3CG (0.49) | — | |
| SCHEMBL358926 | 0.83 | PIK3CG (0.63) | — | |
| SCHEMBL28549695 | 0.82 | PIK3CG (0.50) | MEN1KMT2A | |
| SCHEMBL15650129 | 0.82 | BRD4 (0.43) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| Ammonia Solution, Strong SCHEMBL28564473 | 0.81 | PIK3CG (0.49) | MEN1KMT2A | |
| SCHEMBL22447636 | 0.81 | PIK3CG (0.46) | ALDH1A1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |