Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 6/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL19181531 | 0.86 | DRD4 (0.37) | GBA1FUCA1DRD4DRD2DRD3 | |
| SCHEMBL17065339 | 0.86 | DRD4 (0.37) | GBA1FUCA1DRD4DRD2DRD3 | |
| SCHEMBL17065410 | 0.85 | DRD4 (0.37) | FUCA1DRD4S1PR1S1PR5CYP1A2 | |
| SCHEMBL17065325 | 0.84 | DRD4 (0.36) | FUCA1DRD4S1PR1S1PR5CYP1A2 | |
| SCHEMBL17065395 | 0.84 | DRD4 (0.36) | FUCA1DRD4CYP1A2ALOX15CYP2C19 | |
| SCHEMBL63254 | 0.82 | GBA1 (0.40) | GBA1FUCA1SIGMAR1S1PR1S1PR5 | |
| SCHEMBL51914 | 0.82 | GBA1 (0.40) | GBA1FUCA1SIGMAR1S1PR1S1PR5 | |
| SCHEMBL17005417 | 0.82 | GBA1 (0.47) | GBA1FUCA1DRD4SIGMAR1S1PR1 | |
| SCHEMBL17065374 | 0.79 | DRD4 (0.45) | DRD4CYP1A2CYP2C19 | |
| SCHEMBL16851837 | 0.79 | GBA1 (0.38) | GBA1SIGMAR1DRD2DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3113780-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-08-14 | — | — | EP | disclosed |
| US-9994587-B2 | HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170217986-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-08-03 | — | — | 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-20170217986-A1 | HIV PROTEASE INHIBITORS | CTSV, PRSS1, PREP | GBA1 246/4885FUCA1 667/4885DRD4 664/4885 |
“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.