Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18180323 | 1.00 | BACE1 (0.37) | BACE1BACE2CTSDTAS1R3TAS1R1 | |
| SCHEMBL19969017 | 0.94 | BACE1 (0.36) | BACE1BACE2CTSDTAS1R3TAS1R1 | |
| SCHEMBL19962046 | 0.94 | BACE1 (0.34) | BACE1BACE2CTSDTAS1R3TAS1R1 | |
| SCHEMBL18180142 | 0.92 | AURKA (0.39) | BACE1BACE2TAS1R3TAS1R1PYGL | |
| SCHEMBL18180233 | 0.92 | AURKA (0.39) | BACE1BACE2TAS1R3TAS1R1PYGL | |
| SCHEMBL18180351 | 0.91 | TAS1R3 (0.36) | TAS1R3TAS1R1HSD11B1PYGLROCK2 | |
| SCHEMBL18179918 | 0.91 | TAS1R3 (0.36) | TAS1R3TAS1R1HSD11B1PYGLROCK2 | |
| SCHEMBL16670170 | 0.89 | FFAR1 (0.34) | TAS1R3TAS1R1HSD11B1PYGL | |
| SCHEMBL19969220 | 0.88 | PDE10A (0.34) | TAS1R3TAS1R1HSD11B1PYGL | |
| SCHEMBL18179904 | 0.87 | TAS1R3 (0.38) | TAS1R3TAS1R1HSD11B1PYGLROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180072997-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY | 2018-03-15 | — | — | US | disclosed |
| US-20180072997-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY | 2018-03-15 | — | — | US | disclosed |
| WO-2016172425-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE (NO.5) LIMITED (GB) | 2016-10-27 | — | — | 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-20180072997-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | EIF2AK2, POLR2H, POLR2E | BACE1 3190/4885BACE2 3681/4885CTSD 3253/4885 |
“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.