Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24347574 | 0.85 | NOTUM (0.43) | NOTUMKMT2A | |
| SCHEMBL21172765 | 0.84 | KMT2A (0.42) | ALDH1A1NOTUMKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL21172817 | 0.84 | BRD4 (0.44) | ALDH1A1HTTNOTUMPDK1PDK2 | |
| SCHEMBL24347577 | 0.84 | KMT2A (0.42) | ALDH1A1NOTUMKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL21173164 | 0.84 | BRD4 (0.44) | ALDH1A1HTTNOTUMPDK1PDK2 | |
| SCHEMBL21172566 | 0.83 | NOTUM (0.49) | ALDH1A1HTTNPC1RAB9ANOTUM | |
| SCHEMBL21173009 | 0.83 | NOTUM (0.49) | ALDH1A1HTTNPC1RAB9ANOTUM | |
| SCHEMBL21172800 | 0.83 | TDP1 (0.41) | ALDH1A1RAB9ANOTUMPDK1PDK2 | |
| SCHEMBL30083874 | 0.83 | TDP1 (0.41) | ALDH1A1RAB9ANOTUMPDK1PDK2 | |
| SCHEMBL21173000 | 0.82 | KDM4E (0.41) | ALDH1A1HTTRAB9ANOTUMKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3511323-A1 | 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS | GlaxoSmithKline Intellectual Property (No.2) Limited (GB) | 2019-07-17 | — | — | EP | disclosed |