Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447413 | 0.76 | L3MBTL1 (0.53) | CYP3A4CYP2C19 | |
| SCHEMBL18970375 | 0.75 | HDAC2 (0.64) | ROCK2CYP3A4CYP2C19 | |
| SCHEMBL6175213 | 0.74 | SLC7A5 (0.56) | ROCK2CYP3A4CYP2C19 | |
| SCHEMBL6581113 | 0.74 | ALDH1A1 (0.54) | ROCK2CYP3A4CYP2C19 | |
| SCHEMBL165622 | 0.74 | LOXL2 (0.66) | — | |
| SCHEMBL23014402 | 0.73 | HDAC2 (0.50) | ROCK2CYP3A4CYP2C19SIGMAR1 | |
| SCHEMBL18970272 | 0.73 | SMN1; SMN2 (0.70) | ROCK2SIGMAR1 | |
| SCHEMBL17445776 | 0.72 | POLB (0.49) | CYP3A4CYP2C19MMP13 | |
| SCHEMBL17445795 | 0.71 | HPGD (0.39) | — | |
| SCHEMBL308230 | 0.71 | CFD (0.59) | ROCK2CYP3A4CYP2C19ROCK1MMP13 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10273208-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2019-04-30 | — | — | US | disclosed |
| US-20170152228-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2017-06-01 | — | — | US | disclosed |
| US-20170152228-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2017-06-01 | — | — | US | disclosed |
| US-9586890-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2017-03-07 | — | — | US | disclosed |
| US-9586890-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160016893-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2016-01-21 | — | — | US | disclosed |
| US-20160016893-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2016-01-21 | — | — | 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 (3 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-20170152228-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NEDD4, STUB1, CUL1 | ROCK2 2811/4885CYP3A4 4564/4885CYP2C19 4832/4885 |
| US-20160016893-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NEDD4, STUB1, UBQLN1 | ROCK2 3057/4885CYP3A4 4862/4885CYP2C19 4883/4885 |
| US-10273208-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NEDD4, STUB1, CUL1 | ROCK2 2811/4885CYP3A4 4564/4885CYP2C19 4832/4885 |
“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.