Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 4/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | PTGFR | P43088 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8125134 | 1.00 | EGFR (0.50) | EGFRPTGS2SMN1; SMN2PTGER3TBXA2R | |
| SCHEMBL14148738 | 0.85 | EGFR (0.69) | EGFRPTGER3TBXA2RPTGER2PTGDR | |
| SCHEMBL6171023 | 0.83 | ALDH1A1 (0.47) | SMN1; SMN2CA1CA2ALDH1A1KDM4E | |
| SCHEMBL6171017 | 0.83 | ALDH1A1 (0.47) | SMN1; SMN2CA1CA2ALDH1A1KDM4E | |
| SCHEMBL21643614 | 0.80 | EGFR (0.47) | EGFRSMN1; SMN2PTGER3TBXA2RPTGER2 | |
| SCHEMBL3685251 | 0.80 | EGFR (0.53) | EGFRPTGS2SMN1; SMN2PTGER3TBXA2R | |
| SCHEMBL3685249 | 0.80 | EGFR (0.53) | EGFRPTGS2SMN1; SMN2PTGER3TBXA2R | |
| SCHEMBL9613260 | 0.79 | ESR1 (0.55) | EGFRPTGS2SMN1; SMN2PTGER3TBXA2R | |
| SCHEMBL28170157 | 0.78 | CYP3A4 (0.49) | EGFRSMN1; SMN2PTGER3PTGER2PTGER4 | |
| SCHEMBL8575027 | 0.77 | EIF2AK2 (0.47) | EGFRPTGS2SMN1; SMN2PTGER3TBXA2R |
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-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |