Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 6/20 | 0.36 |
| ▸ | CES2 | O00748 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL2499543 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CES1CES2HSD17B10FAAH | |
| Butane SCHEMBL2580474 | 0.79 | — | — | |
| Bicarbonate SCHEMBL1978954 | 0.76 | AKR1B1 (0.46) | ALDH1A1CES1CES2HSD17B10TSHR | |
| Bicarbonate SCHEMBL3727931 | 0.76 | AKR1B1 (0.46) | ALDH1A1CES1CES2HSD17B10TSHR | |
| Acetone SCHEMBL27596554 | 0.74 | CES1 (0.46) | ALDH1A1CES1CES2HSD17B10FAAH | |
| SCHEMBL135839 | 0.72 | — | — | |
| SCHEMBL6244855 | 0.72 | — | — | |
| SCHEMBL12111341 | 0.72 | — | — | |
| SCHEMBL45362 | 0.72 | — | — | |
| SCHEMBL12111337 | 0.72 | — | — |
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-1809275-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006044707-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |