Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132843 | 0.80 | TAAR1 (0.45) | S1PR4POLBL3MBTL1CTDSP1TDP1 | |
| SCHEMBL3262806 | 0.79 | PTGES2 (0.40) | PTGES2STAT3CA2CA1CA9 | |
| SCHEMBL23235485 | 0.74 | MDM2 (0.38) | STAT3CA2CA1CA9 | |
| SCHEMBL5489312 | 0.74 | PTGES2 (0.46) | PTGES2STAT3CA2CA1CA9 | |
| SCHEMBL4759798 | 0.72 | CASP1 (0.48) | PTGES2STAT3CA2CA1CA9 | |
| SCHEMBL22606378 | 0.70 | STAT3 (0.69) | STAT3CA2CA1CA9CA7 | |
| Hydrochloric Acid SCHEMBL5808141 | 0.70 | CA1 (0.51) | STAT3CA2CA1CA9CA4 | |
| SCHEMBL401308 | 0.70 | CA2 (0.47) | CA2CA1CA9CA4CA6 | |
| SCHEMBL31310995 | 0.70 | CA2 (0.47) | CA2CA1CA9CA4CA6 | |
| SCHEMBL18920575 | 0.70 | KEAP1 (0.44) | S1PR4POLBL3MBTL1CTDSP1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010020556-A1 | NEW BRADYKININ B1 ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2010-02-25 | — | — | WO | claimed |
| WO-2010020556-A1 | NEW BRADYKININ B1 ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |