Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27517851 | 0.84 | PTGS1 (0.54) | PTGS1PTGS2ATMAOC3MAPK9 | |
| SCHEMBL7261751 | 0.79 | PTGS1 (0.65) | PTGS1PTGS2ATMAOC3MAPK9 | |
| SCHEMBL27846331 | 0.75 | PTGS1 (0.78) | PTGS1PTGS2ATMAOC3HPGD | |
| SCHEMBL27598817 | 0.74 | MAPK9 (0.56) | PTGS1PTGS2MAPK9HPGDSMN1; SMN2 | |
| SCHEMBL19286773 | 0.73 | PTGS1 (0.69) | PTGS1PTGS2ATMAOC3HPGD | |
| SCHEMBL9380869 | 0.73 | PTGS1 (0.52) | PTGS1PTGS2ATMAOC3HPGD | |
| SCHEMBL18252787 | 0.72 | PTGS1 (0.73) | PTGS1PTGS2ATMAOC3HPGD | |
| SCHEMBL27617494 | 0.72 | AOC3 (0.59) | PTGS1PTGS2ATMAOC3MAPK9 | |
| SCHEMBL20379845 | 0.72 | PTGS1 (0.59) | PTGS1PTGS2ATMAOC3MAPK9 | |
| SCHEMBL9381247 | 0.72 | PTGS1 (0.51) | PTGS1PTGS2ATMAOC3MAPK9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101180298-B | Antibiotic derivatives | ACTELION PHARMACEUTICALS LTD | 2011-04-27 | — | — | CN | disclosed |
| CN-101180298-A | Novel antibiotic derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2008-05-14 | — | — | CN | disclosed |
| CN-101035784-A | New bicyclic antibiotics | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-12 | — | — | CN | disclosed |