Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6968548 | 0.99 | ESR1 (0.39) | ESR1ESR2KMT2AMEN1BLM | |
| SCHEMBL6956974 | 0.89 | ESR1 (0.41) | ESR1ESR2KMT2AMEN1BLM | |
| Hydrochloric Acid SCHEMBL6967452 | 0.88 | ESR1 (0.41) | ESR1ESR2KMT2AMEN1BLM | |
| SCHEMBL4591366 | 0.88 | KCNH3 (0.37) | KMT2AMEN1BLMLMNAADRA2A | |
| SCHEMBL7688107 | 0.88 | ESR1 (0.39) | ESR1ESR2KMT2AMEN1BLM | |
| Hydrochloric Acid SCHEMBL6968110 | 0.87 | KCNH3 (0.39) | KMT2AMEN1BLMLMNAADRA2A | |
| Hydrochloric Acid SCHEMBL6963712 | 0.83 | CA1 (0.37) | KMT2AMAPTLMNARAD52EGFR | |
| SCHEMBL27417173 | 0.81 | KMT2A (0.37) | ESR1ESR2KMT2AMEN1BLM | |
| SCHEMBL6158156 | 0.81 | KMT2A (0.40) | KMT2AMEN1BLMMAPTLMNA | |
| Hydrochloric Acid SCHEMBL6968001 | 0.81 | KMT2A (0.36) | ESR1ESR2KMT2AMEN1BLM |
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-1879891-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY | Nycomed GmbH (DE) | 2008-01-23 | — | — | EP | claimed |
| WO-2006117315-A1 | MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY | NYCOMED GMBH (DE) | 2006-11-09 | — | — | WO | claimed |