Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 1.00 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.44 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | C5 | P01031 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7014455 | 0.85 | PTGS2 (0.74) | PTGS2MAOAMAOBMAPTMEN1 | |
| SCHEMBL5797966 | 0.76 | PTGS2 (0.60) | PTGS2MAOAMAOBMAPTMEN1 | |
| SCHEMBL6486903 | 0.76 | MMP13 (0.61) | PTGS2MAPTMEN1KMT2AKDM4E | |
| SCHEMBL917093 | 0.76 | PTGS2 (0.87) | PTGS2PTGS1 | |
| SCHEMBL27765605 | 0.75 | PTGS2 (0.59) | PTGS2MAOAMAOBMAPTMEN1 | |
| SCHEMBL8451518 | 0.74 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL9276359 | 0.72 | PTGS2 (0.55) | PTGS2MAOAMAOBMAPTMEN1 | |
| SCHEMBL10122036 | 0.72 | CYP2A6 (0.72) | PTGS2MAOAMAOBMAPTMEN1 | |
| SCHEMBL10946519 | 0.71 | PTGS2 (0.55) | PTGS2MAOAMAPTMEN1ABCC4 | |
| SCHEMBL9910163 | 0.71 | CYP2A6 (0.55) | PTGS2MAOAMAOBMAPTPTGS1 |
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-1054857-B1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-11-05 | — | — | EP | disclosed |
| US-5994379-A | Bisaryl COX-2 inhibiting compounds, compositions and methods of use | MERCK FROSST CANADA, INC. (CA) | 1999-11-30 | — | — | US | disclosed |