Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18082015 | 0.91 | CRBN (0.41) | ALDH1A1TDP1HSD17B10KDM4ECA2 | |
| SCHEMBL10918683 | 0.88 | ALDH1A1 (0.32) | ALDH1A1TDP1FFAR3LCKFYN | |
| SCHEMBL20827772 | 0.84 | — | — | |
| SCHEMBL177640 | 0.79 | — | — | |
| SCHEMBL15367980 | 0.78 | — | — | |
| SCHEMBL20094544 | 0.78 | TSHR (0.41) | ALDH1A1HSD17B10CA2LMNATSHR | |
| SCHEMBL1887913 | 0.76 | — | — | |
| SCHEMBL574055 | 0.76 | — | — | |
| SCHEMBL12967930 | 0.74 | LDHA (0.40) | ALDH1A1HSD17B10KDM4ELMNAFFAR3 | |
| SCHEMBL5374826 | 0.73 | — | — |
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-1496900-A2 | NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003084539-A2 | NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-10-16 | — | — | WO | disclosed |