Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892064 | 1.00 | PTGS2 (0.35) | PTGS2ATML3MBTL1CYP2D6PTGS1 | |
| SCHEMBL21964218 | 0.84 | ALOX5 (0.38) | PTGS2CYP2D6ALOX5KMT2ACYP1A2 | |
| SCHEMBL30732630 | 0.84 | ALOX5 (0.38) | PTGS2CYP2D6ALOX5KMT2ACYP1A2 | |
| SCHEMBL29525590 | 0.84 | ALOX5 (0.38) | PTGS2CYP2D6ALOX5KMT2ACYP1A2 | |
| SCHEMBL1487233 | 0.83 | KMT2A (0.41) | PTGS2ATML3MBTL1CYP2D6PTGS1 | |
| SCHEMBL1927300 | 0.83 | KMT2A (0.41) | PTGS2ATML3MBTL1CYP2D6PTGS1 | |
| SCHEMBL1926988 | 0.83 | KMT2A (0.41) | PTGS2ATML3MBTL1CYP2D6PTGS1 | |
| SCHEMBL4188849 | 0.81 | CYP2D6 (0.41) | PTGS2ATML3MBTL1CYP2D6SRC | |
| SCHEMBL19513655 | 0.81 | CYP3A4 (0.33) | ATML3MBTL1SMYD2 | |
| SCHEMBL1928940 | 0.81 | ATM (0.37) | PTGS2ATML3MBTL1CYP2D6PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6982257-B1 | Vitamin D3 derivative and its production method | TEIJIN LIMITED (JP) | 2006-01-03 | — | — | US | disclosed |