Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045338 | 0.87 | KCNN4 (0.55) | KCNN4CES2CES1KIF11NPC1 | |
| SCHEMBL3523419 | 0.84 | KCNN4 (0.58) | KCNN4CES2CES1ALDH1A1KMT2A | |
| SCHEMBL17080312 | 0.82 | CES1 (0.58) | KCNN4CES2CES1KIF11NPC1 | |
| SCHEMBL10603215 | 0.81 | KCNN4 (0.49) | KCNN4CES2CES1KIF11NPC1 | |
| SCHEMBL1507665 | 0.80 | CA1 (0.54) | CES2CES1NPC1RAB9ACA1 | |
| SCHEMBL30241792 | 0.80 | KCNN4 (0.56) | KCNN4CES2CES1KIF11NPC1 | |
| SCHEMBL30241803 | 0.80 | KIF11 (0.53) | KCNN4CES2CES1KIF11NPC1 | |
| Acetic Acid SCHEMBL28093896 | 0.79 | ALDH1A1 (0.49) | CES2CES1KIF11NPC1RAB9A | |
| SCHEMBL4588423 | 0.79 | CES2 (0.49) | CES2CES1KIF11NPC1RAB9A | |
| SCHEMBL10606364 | 0.78 | KCNN4 (0.50) | KCNN4CES2CES1KIF11NPC1 |
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-2349560-A1 | POLYMER-SUPPORTED TRANSITION METAL CATALYST COMPLEXES AND METHODS OF USE | UNIVERSITY OF KANSAS (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010057099-A1 | POLYMER-SUPPORTED TRANSITION METAL CATALYST COMPLEXES AND METHODS OF USE | UNIVERSITY OF KANSAS (US) | 2010-05-20 | — | — | WO | disclosed |