Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | GLS | O94925 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17539114 | 0.91 | GLS (0.37) | HTR2CSLC6A4GLSMCHR1HTR2A | |
| SCHEMBL19229518 | 0.87 | HTR2C (0.33) | HTR2CSLC6A4GLSMCHR1PDK2 | |
| SCHEMBL17539139 | 0.84 | GLS (0.37) | HTR2CSLC6A4GLSMCHR1HTR2A | |
| SCHEMBL17509620 | 0.84 | GLS (0.39) | HTR2CSLC6A4GLSMCHR1PDK2 | |
| SCHEMBL17539152 | 0.81 | NFKB1 (0.37) | HTR2CSLC6A4GLSMCHR1PDK2 | |
| SCHEMBL19236010 | 0.79 | MCHR1 (0.39) | HTR2CSLC6A4GLSMCHR1PDK2 | |
| SCHEMBL17539112 | 0.76 | GLS (0.39) | HTR2CSLC6A4GLSMCHR1HTR2A | |
| SCHEMBL17539107 | 0.75 | GLS (0.37) | HTR2CSLC6A4GLSMCHR1HTR2A | |
| SCHEMBL17509608 | 0.75 | GLS (0.41) | HTR2CSLC6A4GLSMCHR1HTR2A | |
| SCHEMBL17509617 | 0.75 | MEN1 (0.37) | CHRM2CHRM4CHRM1MEN1KMT2A |
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 | HTR2C 3239/4885SLC6A4 3208/4885GLS 1131/4885 |
“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.