Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.63 |
| ▸ | TTR | P02766 | 3/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.63 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.63 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.63 |
| ▸ | ALB | P02768 | 1/20 | 0.63 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.63 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.63 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.63 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.63 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.63 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.63 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.63 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.63 |
| ▸ | UGT1A10 | Q9HAW8 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL13911574 | 0.88 | PTGS2 (0.64) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL13299169 | 0.87 | PTGS2 (0.66) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL22846863 | 0.85 | PTGS2 (0.71) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL15340508 | 0.84 | CA12 (0.64) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL18500866 | 0.83 | CA12 (0.62) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL12651566 | 0.82 | CA12 (0.65) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL10797057 | 0.82 | CA12 (0.65) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL13653128 | 0.82 | PTGS2 (0.54) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| SCHEMBL11195479 | 0.82 | PTGS2 (0.74) | PTGS2TTRPTGS1AKR1B10UGT1A9 | |
| Hydrochloric Acid SCHEMBL10797659 | 0.81 | CA12 (0.64) | PTGS2TTRPTGS1AKR1B10UGT1A9 |
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-2023147161-A2 | NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF | New Frontier Bio, Inc. (US) | 2023-08-03 | — | — | WO | disclosed |