Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | GLS | O94925 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17539116 | 0.92 | NFKB1 (0.37) | NFKB1NFKB2RELACA12CA1 | |
| SCHEMBL17509620 | 0.87 | GLS (0.39) | CA12CA1CA2CA9GLS | |
| SCHEMBL19229518 | 0.81 | HTR2C (0.33) | NFKB1NFKB2RELAGLSHTR2C | |
| SCHEMBL17539151 | 0.81 | HTR2C (0.35) | GLSHTR2CSLC6A4MEN1KMT2A | |
| SCHEMBL17509608 | 0.78 | GLS (0.41) | CA12CA1CA2CA9GLS | |
| SCHEMBL17539083 | 0.77 | KDM4E (0.56) | NFKB1NFKB2RELAGLSKDM4E | |
| SCHEMBL17539128 | 0.77 | KDM4E (0.56) | NFKB1NFKB2RELAGLSKDM4E | |
| SCHEMBL17539087 | 0.75 | KDM4E (0.56) | NFKB1NFKB2RELAGLSKDM4E | |
| SCHEMBL17539139 | 0.75 | GLS (0.37) | GLSHTR2CSLC6A4MCHR1 | |
| SCHEMBL17539114 | 0.72 | GLS (0.37) | GLSHTR2CSLC6A4MCHR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9975848-B2 | Inhibitors of HIV-1 entry and methods of use thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-05-22 | — | — | US | disclosed |
| US-9975848-B2 | Inhibitors of HIV-1 entry and methods of use thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-05-22 | — | — | US | disclosed |
| US-20170233335-A1 | INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF | BRYN MAWR COLLEGE | 2017-08-17 | — | — | US | disclosed |
| US-20170233335-A1 | INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF | BRYN MAWR COLLEGE | 2017-08-17 | — | — | US | disclosed |
| WO-2016025681-A1 | INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-02-18 | — | — | WO | 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-20170233335-A1 | INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF | CD4, CD81, ICAM1 | NFKB1 997/4885NFKB2 1644/4885RELA 693/4885 |
“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.