Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6820036 | 0.98 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL19361268 | 0.85 | MAPT (0.48) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL10901575 | 0.82 | KCNN4 (0.45) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL11128706 | 0.82 | KCNN4 (0.45) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL9037241 | 0.82 | KCNN4 (0.45) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL6820052 | 0.79 | KIF11 (0.41) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL28647588 | 0.78 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL5402653 | 0.77 | TDP1 (0.46) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL10889787 | 0.75 | NPSR1 (0.42) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL27138798 | 0.75 | CYP2C19 (0.44) | HDAC3HDAC1HDAC2HDAC6HDAC4 |
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-20060128634-A1 | Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-15 | — | — | US | disclosed |
| WO-2004043355-A2 | ALPHA, ALPHA-DISUBSTITUTED BENZYLGLYCINE DERIVATIVES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043355-A2 | ALPHA, ALPHA-DISUBSTITUTED BENZYLGLYCINE DERIVATIVES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | 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-20060128634-A1 | Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors | PEPD, DNPEP, PREP | HDAC3 2371/4885HDAC1 1059/4885HDAC2 2409/4885 |
“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.