Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 7/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 7/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 7/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | BRD2 | P25440 | 3/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18871830 | 0.94 | MAPK14 (0.47) | NPC1ALDH1A1HTTRAB9APDK1 | |
| SCHEMBL18871841 | 0.91 | NPC1 (0.43) | NPC1ALDH1A1HTTRAB9ARORC | |
| SCHEMBL18871826 | 0.89 | PDK1 (0.44) | NPC1ALDH1A1HTTRAB9APDK1 | |
| SCHEMBL26072650 | 0.89 | WDR5 (0.42) | NPC1ALDH1A1HTTRAB9ARORC | |
| SCHEMBL27266042 | 0.88 | DRD2 (0.42) | NPC1ALDH1A1HTTRAB9APDK1 | |
| SCHEMBL18871843 | 0.87 | PDK1 (0.47) | NPC1ALDH1A1HTTRAB9ACYP11B2 | |
| SCHEMBL18871996 | 0.87 | PTK2 (0.47) | PTK2RORCCA12CA1CA2 | |
| SCHEMBL18871832 | 0.86 | PDK1 (0.49) | NPC1ALDH1A1HTTRAB9APDK1 | |
| SCHEMBL18872001 | 0.85 | NAMPT (0.41) | NPC1ALDH1A1HTTRAB9APDK1 | |
| SCHEMBL18871818 | 0.85 | CD274 (0.42) | NPC1ALDH1A1HTTRAB9ACYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3168213-B1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-3168213-A1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS | Glaxosmithkline LLC (US) | 2017-05-17 | — | — | EP | disclosed |