Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.49 |
| ▸ | GAA | P10253 | 10/20 | 0.49 |
| ▸ | GLA | P06280 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24346269 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL23313873 | 0.79 | AKR1C2 (0.60) | ALDH1A1KDM4EHPGDMAPTHSD17B10 | |
| SCHEMBL15014131 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL17238832 | 0.77 | POLB (0.53) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL31355215 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL1807629 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL11626232 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL29557172 | 0.76 | AKR1C4 (0.61) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL29791639 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL951092 | 0.76 | AKR1C4 (0.61) | ALDH1A1KDM4EGAAGLAHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170014419-A1 | MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS | NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) | 2017-01-19 | — | — | US | disclosed |
| US-20170014419-A1 | MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS | NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) | 2017-01-19 | — | — | US | disclosed |
| US-8461209-B2 | Malonic acid sulfonamide derivative and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20100228026-A1 | NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100228026-A1 | NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-09-09 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | 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 (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-20100228026-A1 | NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | REN, AGTR2, AGTR1 | ALDH1A1 617/4885KDM4E 3644/4885GAA 272/4885 |
| US-20170014419-A1 | MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS | AGTR2, MME, AGTR1 | ALDH1A1 2036/4885KDM4E 3004/4885GAA 2009/4885 |
“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.