Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4396685 | 1.00 | GAA (0.50) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL7237208 | 1.00 | GAA (0.50) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL1573923 | 0.89 | KDM4E (0.44) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL1573922 | 0.89 | KDM4E (0.44) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL17030966 | 0.86 | KDM4E (0.48) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL17030967 | 0.86 | KDM4E (0.48) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL15854061 | 0.86 | KDM4E (0.48) | GAAKDM4EMAPTHDAC1HDAC3 | |
| SCHEMBL1573962 | 0.82 | CHRM1 (0.55) | CHRM4CHRM5CHRM1 | |
| SCHEMBL1573964 | 0.82 | CHRM1 (0.55) | CHRM4CHRM5CHRM1 | |
| SCHEMBL3527430 | 0.81 | HDAC1 (0.43) | HDAC1HDAC3HDAC2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531484-B2 | Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS | MERCK & CO., INC. | 2003-03-11 | — | — | US | disclosed |
| US-20020198178-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-12-26 | — | — | 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 (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-20020198178-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | CCR5, CCR1, CCL5 | GAA 4591/4885KDM4E 3199/4885MAPT 4581/4885 |
“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.