Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL10968029 | 0.81 | ALOX5 (0.50) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8716724 | 0.80 | ALOX5 (0.53) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8254807 | 0.80 | ALOX5 (0.50) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL15675289 | 0.79 | ALOX5 (0.51) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL599875 | 0.79 | ALOX5 (0.51) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL15695573 | 0.79 | ALOX5 (0.51) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL9402230 | 0.77 | ALOX5 (0.50) | ALOX5LCKFYNDAOCXCR1 | |
| SCHEMBL2656314 | 0.77 | ALOX5 (0.59) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8352449 | 0.77 | ALOX5 (0.50) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL5347344 | 0.76 | ALOX5 (0.57) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| WO-2002048331-A2 | ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2002-06-20 | — | — | WO | disclosed |
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | disclosed |