Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857043 | 0.91 | NPSR1 (0.31) | KDM4EALDH1A1MAPTLMNAHPGD | |
| SCHEMBL4423364 | 0.81 | ALDH1A1 (0.36) | KDM4EALDH1A1MAPTLMNAPOLB | |
| SCHEMBL4416831 | 0.81 | ALDH1A1 (0.35) | KDM4EALDH1A1MAPTLMNAHPGD | |
| SCHEMBL733374 | 0.79 | HDAC3 (0.41) | KDM4EALDH1A1MAPT | |
| SCHEMBL4411234 | 0.79 | — | — | |
| SCHEMBL4414645 | 0.78 | — | — | |
| SCHEMBL4417848 | 0.78 | KHK (0.38) | — | |
| SCHEMBL4411155 | 0.75 | SCN9A (0.37) | — | |
| SCHEMBL4267712 | 0.75 | OPRD1 (0.32) | — | |
| SCHEMBL4266728 | 0.75 | OPRD1 (0.32) | — |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |