Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 5/20 | 0.35 |
| ▸ | ADH1C | P00326 | 4/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14208370 | 0.96 | CYP1A2 (0.31) | CYP1A2ADH1AADH1C | |
| SCHEMBL21537297 | 0.90 | ADH1C (0.33) | ADH1AADH1C | |
| SCHEMBL19333339 | 0.88 | ADH1A (0.37) | CYP1A2ADH1AADH1CADH1BALDH1A1 | |
| SCHEMBL21155046 | 0.84 | — | — | |
| SCHEMBL12672679 | 0.84 | ADH1A (0.32) | ADH1AADH1C | |
| SCHEMBL17056102 | 0.79 | SHBG (0.39) | ADH1AADH1CADH1BALDH1A1TSHR | |
| SCHEMBL19150105 | 0.77 | ALDH1A1 (0.38) | ADH1AADH1CADH1BALDH1A1TSHR | |
| SCHEMBL27389259 | 0.77 | PIK3CD (0.33) | — | |
| SCHEMBL5033532 | 0.77 | OPRM1 (0.36) | ADH1AADH1C | |
| SCHEMBL3363831 | 0.75 | ADH1A (0.42) | CYP1A2ADH1AADH1CADH1BMMP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012084704-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |