Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 3/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.58 |
| ▸ | S100A4 | P26447 | 2/20 | 0.57 |
| ▸ | PTPRC | P08575 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9389370 | 0.92 | BCL2 (0.58) | BCL2MCL1S100A4PTPRCLCK | |
| SCHEMBL5817037 | 0.84 | ESR2 (0.61) | PTPRCCA1CA2CA7CA9 | |
| SCHEMBL29407366 | 0.84 | ESR2 (0.61) | PTPRCCA1CA2CA7CA9 | |
| SCHEMBL28845752 | 0.80 | S100A4 (0.61) | BCL2MCL1S100A4PTPRCLCK | |
| SCHEMBL10086888 | 0.77 | CA9 (0.44) | CA1CA2CA7CA9ESR1 | |
| SCHEMBL30490 | 0.77 | S100A4 (0.57) | S100A4CA1CA2ESR1ESR2 | |
| SCHEMBL28591550 | 0.77 | MAOA (0.53) | BCL2MCL1LCKCA1CA2 | |
| SCHEMBL29404998 | 0.77 | MAOA (0.53) | BCL2MCL1LCKCA1CA2 | |
| SCHEMBL21013875 | 0.77 | TGM2 (0.39) | BCL2MCL1ESR1ESR2MAOA | |
| SCHEMBL5811756 | 0.76 | ESR2 (0.61) | BCL2MCL1PTPRCCA1CA2 |
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-10829427-B2 | Naphthoquinones, pro-drugs, and methods of use thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2020-11-10 | — | — | US | disclosed |
| US-10829427-B2 | Naphthoquinones, pro-drugs, and methods of use thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2020-11-10 | — | — | US | disclosed |
| US-20190071380-A1 | NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-03-07 | — | — | US | disclosed |
| US-20190071380-A1 | NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-03-07 | — | — | US | disclosed |
| WO-2017106624-A1 | NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-22 | — | — | WO | disclosed |
| WO-2017106624-A1 | NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-22 | — | — | 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 (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-10829427-B2 | Naphthoquinones, pro-drugs, and methods of use thereof | NQO1, RECQL, ABCB1 | BCL2 1184/4885MCL1 217/4885S100A4 2683/4885 |
| US-20190071380-A1 | NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF | NQO1, RECQL, ABCB1 | BCL2 1184/4885MCL1 217/4885S100A4 2683/4885 |
“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.