Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL22973525 | 0.86 | ALOX5 (0.42) | ALOX5BRD4BRD2PIK3CDLMNA | |
| Hexadecane SCHEMBL369966 | 0.86 | ALOX5 (0.42) | ALOX5BRD4BRD2PIK3CDLMNA | |
| 1-Pentanol SCHEMBL28649677 | 0.81 | SMN1; SMN2 (0.38) | ALOX5BRD4BRD2LMNACA12 | |
| SCHEMBL27601371 | 0.79 | TSHR (0.48) | ALOX5FAAHMGLL | |
| SCHEMBL6229884 | 0.79 | TSHR (0.48) | ALOX5FAAHMGLL | |
| SCHEMBL3674032 | 0.79 | TSHR (0.48) | ALOX5FAAHMGLL | |
| SCHEMBL787107 | 0.79 | TSHR (0.48) | ALOX5FAAHMGLL | |
| SCHEMBL786722 | 0.79 | TSHR (0.48) | ALOX5FAAHMGLL | |
| Butyl Alcohol SCHEMBL28227812 | 0.79 | ALDH1A1 (0.35) | ALOX5BRD4BRD2PIK3CDLMNA | |
| SCHEMBL27962943 | 0.78 | ALOX5 (0.37) | ALOX5GAAFAAHMGLL |
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 |
|---|---|---|---|---|---|---|---|
| CN-105012227-A | Antifungal composition for improving dissolution and preparation method thereof | BEIJING JIMEITANG MEDICINE RES CO LTD | 2015-11-04 | — | — | CN | disclosed |