Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| Xenbucin SCHEMBL24134 | 0.89 | PTGS2 (0.58) | PTGS2AKR1C3AKR1C2HTR1AADRA1A | |
| Xenbucin SCHEMBL3360074 | 0.85 | PTGS2 (0.55) | PTGS2AKR1C3AKR1C2HTR1AADRA1A | |
| Xenbucin SCHEMBL10345476 | 0.82 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2HTR1AADRA1A | |
| SCHEMBL10345479 | 0.81 | KCNQ2 (0.45) | PTGS2AKR1C3AKR1C2HTR1AADRA1A | |
| SCHEMBL1715 | 0.78 | LMNA (0.59) | HTR1AADRA1ACRHBPCRHR2KCNQ2 | |
| SCHEMBL67237 | 0.78 | LMNA (0.59) | HTR1AADRA1ACRHBPCRHR2KCNQ2 | |
| SCHEMBL65737 | 0.78 | LMNA (0.59) | HTR1AADRA1ACRHBPCRHR2KCNQ2 | |
| SCHEMBL29757088 | 0.78 | LMNA (0.59) | HTR1AADRA1ACRHBPCRHR2KCNQ2 | |
| SCHEMBL20769804 | 0.78 | LMNA (0.59) | HTR1AADRA1ACRHBPCRHR2KCNQ2 | |
| SCHEMBL1574429 | 0.78 | AKR1C3 (0.58) | PTGS2AKR1C3AKR1C2HTR1AADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0105635-B1 | NONIRRITATING AQUEOUS OPHTHALMIC COMPOSITIONS COMFORT FORMULATION FOR OCULAR THEREPEUTIC AGENTS | ALCON LABORATORIES, INC. (US) | 1990-04-04 | — | — | EP | disclosed |
| US-4559343-A | ANTIINFLAMMATORY AGENT WITH XANTHINE DERIVATIVE | ALCON LABORATORIES, INC. (US) | 1985-12-17 | — | — | US | disclosed |
| EP-0105635-A2 | Nonirritating aqueous ophthalmic compositions comfort formulation for ocular therepeutic agents | ALCON LABORATORIES, INC. (US) | 1984-04-18 | — | — | EP | disclosed |