Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL17621103 | 0.93 | CTSS (0.52) | CTSSADRB3ADRA2BADRA2CCTSB | |
| Deldeprevir SCHEMBL13291708 | 0.89 | CTSS (0.67) | CTSSADRB3ADRA2BADRA2CCTSB | |
| Deldeprevir SCHEMBL16020697 | 0.89 | CTSS (0.67) | CTSSADRB3ADRA2BADRA2CCTSB | |
| Deldeprevir SCHEMBL29399555 | 0.89 | CTSS (0.67) | CTSSADRB3ADRA2BADRA2CCTSB | |
| Deldeprevir SCHEMBL16020696 | 0.89 | CTSS (0.67) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL19528916 | 0.89 | CTSS (0.55) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL25524203 | 0.85 | CTSS (0.60) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL16927407 | 0.84 | CTSS (0.72) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL16927409 | 0.84 | CTSS (0.72) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL13291725 | 0.84 | CTSS (0.72) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170157096-A1 | SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS | ACHILLION PHARMACEUTICALS, INC. | 2017-06-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170157096-A1 | SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS | HAVCR2, HCCS, AHR | CTSS 870/4885ADRB3 1243/4885ADRA2B 1061/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.