Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL997574 | 0.90 | CTSS (0.67) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL10157015 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL999568 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL1101743 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL999570 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL14548759 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL1104166 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL999567 | 0.84 | CTSS (0.68) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL8242624 | 0.84 | CTSS (0.69) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL14840283 | 0.82 | CTSS (0.65) | CTSSADRB3ADRA2BADRA2CCTSB |
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-2937339-A1 | Macrocylic inhibitors of hepatitis c virus | Janssen Sciences Ireland UC (IE) | 2015-10-28 | — | — | EP | disclosed |
| EP-2322516-B1 | Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus | JANSSEN SCIENCES IRELAND UC (IE) | 2015-09-23 | — | — | EP | disclosed |