Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3776743 | 1.00 | ALDH1A1 (0.44) | ALDH1A1NPC1MAPK1RAB9AGLA | |
| SCHEMBL3774831 | 0.85 | HDAC1 (0.53) | HDAC1HDAC3HDAC2 | |
| SCHEMBL3644798 | 0.82 | HPGDS (0.48) | ALDH1A1MAPTPOLBHCAR3HDAC1 | |
| SCHEMBL3644793 | 0.82 | HPGDS (0.48) | ALDH1A1MAPTPOLBHCAR3HDAC1 | |
| SCHEMBL3772409 | 0.81 | POLB (0.41) | ALDH1A1NPC1MAPK1RAB9AGLA | |
| SCHEMBL3772412 | 0.81 | POLB (0.41) | ALDH1A1NPC1MAPK1RAB9AGLA | |
| SCHEMBL3777895 | 0.76 | HDAC1 (0.54) | HDAC1HDAC3HDAC2 | |
| SCHEMBL3644493 | 0.73 | HDAC1 (0.74) | HDAC1HDAC2 | |
| SCHEMBL3053167 | 0.71 | HDAC1 (0.68) | MAPK1HDAC1HDAC3HDAC2 | |
| SCHEMBL3775153 | 0.71 | HDAC2 (0.48) | HDAC1HDAC3HDAC2 |
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-8461189-B2 | Pyridyl derivatives as histone deacetylase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20100324092-A1 | PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-12-23 | — | — | 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-20100324092-A1 | PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | BRDT, HDAC5, HDAC1 | ALDH1A1 966/4885NPC1 4279/4885MAPK1 853/4885 |
“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.