Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15984749 | 0.79 | PDK1 (0.39) | PDK1PARP1PARP15PARP3KDM4E | |
| SCHEMBL21888964 | 0.79 | PDK1 (0.39) | PDK1PARP1PARP15PARP3KDM4E | |
| SCHEMBL21160958 | 0.76 | PARP1 (0.41) | PARP1PARP15PARP3KDM4EALDH1A1 | |
| SCHEMBL5851446 | 0.75 | PDK1 (0.35) | PDK1PARP1PARP15PARP3KDM4E | |
| SCHEMBL19153079 | 0.73 | KDM4E (0.43) | PARP1PARP15PARP3KDM4EALDH1A1 | |
| SCHEMBL23732125 | 0.69 | HAVCR2 (0.36) | PDK1HAVCR2 | |
| SCHEMBL30666618 | 0.66 | PARP1 (0.42) | PARP1PARP15PARP3KDM4EALDH1A1 | |
| SCHEMBL6207737 | 0.65 | — | — | |
| SCHEMBL19153081 | 0.65 | PARP1 (0.38) | PARP1PARP15PARP3KDM4EALDH1A1 | |
| SCHEMBL23732014 | 0.63 | NR2E1 (0.36) | PARP1PARP15PARP3HAVCR2 |
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-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |