Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL13783154 | 0.81 | CFTR (0.42) | CFTRGOPCMAOBKDM1AMAOA | |
| SCHEMBL13782120 | 0.81 | CFTR (0.50) | CFTRGOPC | |
| SCHEMBL9469689 | 0.79 | CFTR (0.53) | CFTRGOPCALDH1A1TSHRMAOB | |
| SCHEMBL5545795 | 0.75 | CFTR (0.44) | CFTRGOPCTSHRCYP2D6CYP3A4 | |
| SCHEMBL1673372 | 0.73 | ALDH1A1 (0.40) | CFTRGOPCALDH1A1MAOBKDM1A | |
| SCHEMBL1673336 | 0.73 | ALDH1A1 (0.40) | CFTRGOPCALDH1A1MAOBKDM1A | |
| SCHEMBL16857693 | 0.73 | ALDH1A1 (0.40) | CFTRGOPCALDH1A1MAOBKDM1A | |
| SCHEMBL5542453 | 0.72 | SLC6A2 (0.47) | CFTRGOPCCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL5542448 | 0.71 | CFTR (0.41) | CFTRGOPCALDH1A1TSHRMAOB | |
| SCHEMBL17421924 | 0.70 | ALDH1A1 (0.36) | CFTRGOPCALDH1A1MAOBKDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | claimed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | claimed |