Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.63 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.63 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | FBP1 | P09467 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7567058 | 1.00 | CYP1A1 (0.63) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL13790333 | 0.90 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL8367958 | 0.90 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL13790243 | 0.90 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL7567897 | 0.90 | CYP1A1 (0.71) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL8880477 | 0.86 | ALDH1A1 (0.54) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL2622633 | 0.81 | KMT2A (0.55) | CYP1A1CYP1A2CYP1B1RELAKDM4E | |
| SCHEMBL12575578 | 0.81 | CYP1A1 (0.61) | CYP1A1CYP1A2CYP1B1RELARAB9A | |
| SCHEMBL18533141 | 0.81 | CYP1A1 (0.61) | CYP1A1CYP1A2CYP1B1RELARAB9A | |
| SCHEMBL29195225 | 0.81 | CYP1A1 (0.55) | CYP1A1CYP1A2CYP1B1RELAKDM4E |
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 4 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 |
| 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 |