Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.74 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007095 | 0.85 | PTGS2 (1.00) | PTGS2ALDH1A1KDM4EMAPTMAOA | |
| SCHEMBL3729385 | 0.73 | PTGS2 (0.58) | PTGS2MT-CO2KMT2AUSP2 | |
| SCHEMBL4827831 | 0.72 | PTGS2 (0.67) | PTGS2ALDH1A1KMT2APKMUSP2 | |
| SCHEMBL27765605 | 0.72 | PTGS2 (0.59) | PTGS2AXLALDH1A1KDM4EMAPT | |
| SCHEMBL5797966 | 0.70 | PTGS2 (0.60) | PTGS2AXLALDH1A1KDM4EMAPT | |
| SCHEMBL4217690 | 0.70 | FFAR1 (0.49) | PTGS2MMP2MMP13MMP14KDM4E | |
| SCHEMBL12424105 | 0.69 | HPGD (0.51) | PTGS2MT-CO2KMT2A | |
| SCHEMBL7352325 | 0.69 | AXL (0.63) | PTGS2AXLALDH1A1KDM4EMAPT | |
| SCHEMBL10122036 | 0.69 | CYP2A6 (0.72) | PTGS2AXLALDH1A1KDM4EMAPT | |
| SCHEMBL9276359 | 0.69 | PTGS2 (0.55) | PTGS2AXLALDH1A1KDM4EMAPT |
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 |