Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | KLK1 | P06870 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2243218 | 0.94 | TSHR (0.42) | TSHRKMT2ALMNAKCNH2CACNA1G | |
| Trifluoroacetic Acid SCHEMBL2238818 | 0.94 | TSHR (0.42) | TSHRKMT2ALMNAKCNH2CACNA1G | |
| Trifluoroacetic Acid SCHEMBL2234999 | 0.91 | TSHR (0.43) | TSHRKMT2ALMNAKCNH2CACNA1G | |
| SCHEMBL12346722 | 0.89 | TSHR (0.47) | TSHRKMT2ALMNAKCNH2L3MBTL1 | |
| SCHEMBL12346720 | 0.89 | TSHR (0.47) | TSHRKMT2ALMNAKCNH2L3MBTL1 | |
| SCHEMBL2238958 | 0.88 | TSHR (0.47) | TSHRKMT2ALMNAKCNH2L3MBTL1 | |
| SCHEMBL12346715 | 0.86 | TSHR (0.47) | TSHRKMT2ALMNAKCNH2L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL2234903 | 0.85 | DYRK1A (0.35) | TSHRKMT2ALMNAKCNH2CACNA1G | |
| Trifluoroacetic Acid SCHEMBL2243665 | 0.85 | OPRM1 (0.39) | TSHRKMT2ALMNAKCNH2CACNA1G | |
| Trifluoroacetic Acid SCHEMBL2238388 | 0.85 | ALDH1A1 (0.38) | TSHRKMT2ALMNAOPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2012500783-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | claimed |