Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 7/20 | 0.48 |
| ▸ | CDK2 | P24941 | 5/20 | 0.48 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL506374 | 1.00 | CYP2A6 (0.49) | CYP2A6CDC7CDK2MAP3K14L3MBTL1 | |
| SCHEMBL1779268 | 0.85 | PRKCI (0.53) | CYP2A6CDC7KDM4EALDH1A1GLA | |
| SCHEMBL29499059 | 0.85 | PRKCI (0.53) | CYP2A6CDC7KDM4EALDH1A1GLA | |
| SCHEMBL18029368 | 0.81 | HTR7 (0.49) | CYP2A6CDC7CDK2MAP3K14L3MBTL1 | |
| Bromide SCHEMBL7491178 | 0.79 | KDM4E (0.37) | CYP2A6CDC7CDK2MAP3K14KDM4E | |
| SCHEMBL8430662 | 0.78 | ALDH1A1 (0.48) | CDC7CDK2MAP3K14KDM4EALDH1A1 | |
| SCHEMBL8253236 | 0.77 | CDC7 (0.50) | CDC7CDK2MAP3K14KDM4EALDH1A1 | |
| SCHEMBL27924593 | 0.77 | CDC7 (0.48) | CDC7CDK2MAP3K14KDM4EALDH1A1 | |
| SCHEMBL20655577 | 0.77 | CDC7 (0.44) | CYP2A6CDC7CDK2MAP3K14KDM4E | |
| SCHEMBL20656047 | 0.77 | ALDH1A1 (0.50) | CYP2A6CDC7CDK2MAP3K14KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| US-11958850-B2 | Heteroaryl compounds for kinase inhibition | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-04-16 | — | — | US | disclosed |
| US-20230102829-A1 | Heteroaryl Compounds For Kinase Inhibition | ARIAD PHARMACEUTICALS, INC. | 2023-03-30 | — | — | US | disclosed |
| CN-113004187-B | Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application | 沈阳药科大学 | 2022-09-20 | — | — | CN | 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 (2 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-11958850-B2 | Heteroaryl compounds for kinase inhibition | ERBB2, EGFR, ERBB3 | CYP2A6 2373/4885CDC7 380/4885CDK2 53/4885 |
| US-20230102829-A1 | Heteroaryl Compounds For Kinase Inhibition | ERBB2, EGFR, ERBB3 | CYP2A6 2373/4885CDC7 380/4885CDK2 53/4885 |
“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.