Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 13/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 13/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 13/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 13/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18871762 | 0.88 | PDK1 (0.49) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6134120 | 0.78 | NPC1 (0.46) | NPC1CASP3RAB9AATMSENP8 | |
| SCHEMBL18871979 | 0.77 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL18871831 | 0.74 | PDK1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL18871982 | 0.73 | PDK1 (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL11666685 | 0.71 | HSD17B2 (0.59) | NPC1RAB9A | |
| SCHEMBL29800427 | 0.71 | CA12 (0.56) | NPC1RAB9A | |
| SCHEMBL811649 | 0.71 | CA12 (0.56) | NPC1RAB9A | |
| SCHEMBL20429116 | 0.71 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6133955 | 0.69 | HDAC8 (0.53) | NPC1CASP3RAB9AATMSENP8 |
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 |