Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.67 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.67 |
| ▸ | TTR | P02766 | 3/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13630652 | 0.86 | PTGS1 (0.65) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL25612270 | 0.81 | TTR (0.70) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL562336 | 0.80 | CYP1A1 (1.00) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL30475363 | 0.80 | CYP1A1 (1.00) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL562335 | 0.80 | CYP1A1 (1.00) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| Resveratrol SCHEMBL27998695 | 0.79 | PTGS1 (0.95) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL7192552 | 0.79 | CYP1A1 (0.54) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL7192549 | 0.79 | CYP1A1 (0.54) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL2470272 | 0.79 | APP (0.57) | PTGS2CYP1A1CYP1B1TTRALOX5 | |
| SCHEMBL13587590 | 0.77 | PTGS2 (0.69) | PTGS2CYP1A1CYP1B1TTRALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013037985-A1 | PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS | GENMEDICA THERAPUTICS SL (ES) | 2013-03-21 | — | — | WO | disclosed |
| WO-2009138437-A1 | SALICYLATE CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS | GENMEDICA THERAPEUTICS SL (ES) | 2009-11-19 | — | — | WO | disclosed |