Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 13/20 | 0.42 |
| ▸ | CTSS | P25774 | 9/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18427981 | 1.00 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL6684772 | 0.93 | CA1 (0.49) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL11126904 | 0.92 | CYP2D6 (0.45) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL11126899 | 0.92 | CYP2D6 (0.45) | CYP2D6CA1CA2CA7ATM | |
| Bicarbonate SCHEMBL27795599 | 0.90 | CYP2D6 (0.44) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL18428106 | 0.88 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL28648146 | 0.85 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL28648145 | 0.85 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL6829649 | 0.85 | APP (0.43) | CYP2D6CA1CA2CA7ATM | |
| SCHEMBL5199493 | 0.85 | APP (0.43) | CYP2D6CA1CA2CA7ATM |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207465-B | Heterocyclic compounds and their use | 财团法人卫生研究院 | 2021-09-10 | — | — | CN | disclosed |
| EP-3197885-B1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | NATIONAL HEALTH RES INST (TW) | 2020-11-18 | — | — | EP | disclosed |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-10 | — | — | US | disclosed |
| EP-3331851-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | Quadriga Biosciences, Inc. (US) | 2018-06-13 | — | — | EP | disclosed |
| US-9926298-B2 | Heterocyclic compounds and use thereof | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2018-03-27 | — | — | US | disclosed |
| US-20180009786-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | NATIONAL HEALTH RES INST (TW) | 2018-01-11 | — | — | US | disclosed |
| US-9862703-B2 | Heterocyclic compounds and use thereof | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2018-01-09 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| EP-3197885-A2 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | Chao, Yu-Sheng (US) | 2017-08-02 | — | — | EP | disclosed |
| WO-2017024009-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2016048861-A2 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2016-03-31 | — | — | WO | disclosed |
| US-20160083369-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | NAT HEALTH RESEARCH INSTITUTES (TW) | 2016-03-24 | — | — | 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 (4 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-20180009786-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | CXCL12, HPGDS, MCL1 | CYP2D6 1304/4885CA1 2518/4885CA2 4328/4885 |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC7A1, SLC3A2, SLC43A1 | CYP2D6 2501/4885CA1 3550/4885CA2 2766/4885 |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CYP2D6 2449/4885CA1 3391/4885CA2 2703/4885 |
| US-20160083369-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | CXCL12, HPGDS, MCL1 | CYP2D6 1304/4885CA1 2518/4885CA2 4328/4885 |
“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.