Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | CDC42 | P60953 | 1/20 | 0.50 |
| ▸ | RAC1 | P63000 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27335967 | 0.84 | AOC3 (0.43) | ABCB11TSHRCYP1A2CYP2C9TDP1 | |
| SCHEMBL14783039 | 0.76 | ABCB11 (0.71) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL14783480 | 0.75 | ABCB11 (0.69) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL15780716 | 0.75 | AKR1C3 (0.55) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL5661148 | 0.75 | ABCB11 (0.70) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| Naproxol SCHEMBL29979997 | 0.75 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| Naproxol SCHEMBL30599771 | 0.75 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL5660959 | 0.75 | ABCB11 (0.70) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL5661142 | 0.75 | ABCB11 (0.70) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 | |
| Naproxol SCHEMBL8471214 | 0.75 | ABCB11 (1.00) | ABCB11AKR1C3AKR1C2PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722434-A1 | NITRIC ESTERS HAVING ANTI-INFLAMMATORY AND/OR ANALGESIC ACTIVITY AND PROCESS FOR THEIR PREPARATION | NICOX S.A. (FR) | 1996-07-24 | — | — | EP | disclosed |