Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | GAK | O14976 | 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 | |
|---|---|---|---|---|
| SCHEMBL15040807 | 0.79 | HTT (0.56) | KDM4EALDH1A1LMNAHPGDMTOR | |
| SCHEMBL18630257 | 0.77 | PARP1 (0.48) | PARP1EGFRLMNAHTTCCNC | |
| SCHEMBL10703592 | 0.73 | SMN1; SMN2 (0.50) | PARP1EGFRALDH1A1LMNAHTT | |
| SCHEMBL17059455 | 0.73 | PARP1 (0.46) | PARP1KDM4EALDH1A1LMNAHPGD | |
| SCHEMBL6978920 | 0.72 | PARP1 (0.44) | PARP1EGFRKDM4EALDH1A1LMNA | |
| SCHEMBL28532923 | 0.72 | PARP1 (0.44) | PARP1EGFRLMNAHTTCCNC | |
| SCHEMBL140574 | 0.72 | PDE4A (0.53) | PARP1EGFRKDM4EALDH1A1LMNA | |
| SCHEMBL217203 | 0.72 | PARP1 (0.44) | PARP1EGFRLMNACCNCCDK8 | |
| SCHEMBL29390639 | 0.72 | PDE4A (0.53) | PARP1EGFRKDM4EALDH1A1LMNA | |
| SCHEMBL5930896 | 0.72 | MAP4K4 (0.56) | MAP4K4 |
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-2485731-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2016-05-11 | — | — | EP | disclosed |