Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 4/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3973838 | 0.82 | ABCG2 (0.45) | PYGLABCG2TACR3CDK2PSMB5 | |
| SCHEMBL3979330 | 0.81 | POLB (0.43) | ALDH1A1TACR3 | |
| SCHEMBL5927761 | 0.81 | PYGL (0.47) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3995396 | 0.81 | HDAC1 (0.54) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3980063 | 0.80 | LNPEP (0.54) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3979425 | 0.80 | LNPEP (0.54) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3979317 | 0.79 | PYGL (0.45) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3979320 | 0.79 | PYGL (0.45) | HDAC1HDAC6PYGLALDH1A1ABCG2 | |
| SCHEMBL3977291 | 0.76 | PYGL (0.41) | PYGLTACR3CDK2PSMB5 | |
| SCHEMBL5926647 | 0.76 | SERPINE1 (0.57) | HDAC1HDAC6PYGLALDH1A1ABCG2 |
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-7501538-B2 | Aryl and heteroaryl compounds, compositions and methods of use | TRANSTECH PHARMA, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-20050049310-A1 | Aryl and heteroaryl compounds, compositions and methods of use | VTVX HOLDINGS I LLC | 2005-03-03 | — | — | US | disclosed |
| WO-2005014532-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | 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-20050049310-A1 | Aryl and heteroaryl compounds, compositions and methods of use | EPOR, HBG2, CYP2F1 | HDAC1 1936/4885HDAC6 2949/4885PYGL 202/4885 |
“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.