Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.40 |
| ▸ | AURKA | O14965 | 10/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 SCHEMBL3038157 | 0.99 | KDR (0.39) | KDRAURKANQO2CDK1CHEK1 | |
| SCHEMBL3043567 | 0.93 | KDR (0.41) | KDRAURKANQO2CDK1CHEK1 | |
| SCHEMBL3040153 | 0.92 | AURKA (0.40) | KDRAURKANQO2CDK1CHEK1 | |
| Hydrochloric Acid SCHEMBL3048323 | 0.91 | AURKA (0.39) | KDRAURKANQO2CDK1CHEK1 | |
| SCHEMBL3044385 | 0.91 | AURKA (0.41) | KDRAURKANQO2CDK1DRD2 | |
| Hydrochloric Acid SCHEMBL3051223 | 0.90 | AURKA (0.41) | KDRAURKANQO2CDK1DRD2 | |
| Hydrochloric Acid SCHEMBL3048285 | 0.90 | AURKA (0.39) | KDRAURKANQO2CDK1CHEK1 | |
| SCHEMBL3045069 | 0.89 | AURKA (0.42) | KDRAURKANQO2CDK1CHEK1 | |
| Hydrochloric Acid SCHEMBL3047197 | 0.89 | AURKA (0.39) | KDRAURKANQO2CDK1CHEK1 | |
| Hydrochloric Acid SCHEMBL3046036 | 0.88 | AURKA (0.38) | KDRAURKANQO2CDK1CHEK1 |
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-7745641-B2 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-06-29 | — | — | US | claimed |
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | 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-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | KDR 1791/4885AURKA 4497/4885NQO2 3324/4885 |
“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.