Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.49 |
| ▸ | CDK2 | P24941 | 5/20 | 0.49 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 1/20 | 0.45 |
| ▸ | ECE1 | P42892 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4824679 | 1.00 | KDR (0.51) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4824863 | 0.91 | KDR (0.53) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4824854 | 0.91 | KDR (0.53) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4827805 | 0.90 | CDK2 (0.51) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4833482 | 0.90 | CDK2 (0.51) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4823324 | 0.90 | CDK2 (0.56) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4823322 | 0.90 | CDK2 (0.56) | KDRHDAC1HDAC6CDK2TACR3 | |
| SCHEMBL4829599 | 0.89 | ERAP1 (0.51) | PYGLECE1 | |
| SCHEMBL4829604 | 0.89 | ERAP1 (0.51) | PYGLECE1 | |
| SCHEMBL13792618 | 0.89 | CDK2 (0.49) | KDRHDAC1HDAC6CDK2TACR3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | disclosed |
| WO-2005014534-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-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | KDR 1624/4885HDAC1 1171/4885HDAC6 1063/4885 |
“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.