Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.38 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | XPO1 | O14980 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8703332 | 0.96 | ABCB1 (0.44) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8703329 | 0.84 | SMN1; SMN2 (0.33) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8704515 | 0.83 | PTGS2 (0.45) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8700700 | 0.80 | PTGS2 (0.45) | ALDH1A1PTGS2XPO1ABCB1CYP3A4 | |
| SCHEMBL8700702 | 0.80 | PTGS2 (0.45) | ALDH1A1PTGS2XPO1ABCB1CYP3A4 | |
| SCHEMBL8699799 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8700233 | 0.77 | ABCB1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10PTGS2 | |
| SCHEMBL8698359 | 0.77 | ABCB1 (0.53) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8698554 | 0.76 | CA12 (0.46) | ALDH1A1KDM4EHPGDALOX12MAPK10 | |
| SCHEMBL8698558 | 0.76 | CA12 (0.46) | ALDH1A1KDM4EHPGDALOX12MAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |