Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TRPC4 | Q9UBN4 | 2/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TRPC1 | P48995 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | DUT | P33316 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16028981 | 0.93 | ADORA3 (0.40) | HTTADORA3 | |
| SCHEMBL16076186 | 0.88 | MAPT (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18834083 | 0.87 | TRPC5 (0.49) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31052938 | 0.85 | TRPC5 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31052954 | 0.81 | P2RX3 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16076175 | 0.81 | ADORA3 (0.50) | CYP1A2CYP2C19TSHRMAPK1NPSR1 | |
| SCHEMBL19374965 | 0.80 | ADORA3 (0.51) | TRPC4TRPC5KCNH2HTTTRPC1 | |
| SCHEMBL16028292 | 0.77 | TSHR (0.58) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16027950 | 0.76 | P2RX3 (0.43) | SMN1; SMN2MAPTALDH1A1MAPK1NPSR1 | |
| SCHEMBL555591 | 0.75 | HTT (0.52) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024153028-A1 | MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 深圳晶蛋生物医药科技有限公司 | 2024-07-25 | — | — | WO | disclosed |
| US-20230040259-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, LLC (US) | 2023-02-09 | — | — | US | disclosed |
| US-11208409-B2 | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES, LLC (US) | 2021-12-28 | — | — | US | disclosed |
| US-20190322667-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-10-24 | — | — | US | disclosed |
| US-10399982-B2 | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES, INC. (US) | 2019-09-03 | — | — | US | disclosed |
| US-9969736-B2 | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-20170305910-A1 | Substituted Xanthines and Methods of Use Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-26 | — | — | 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 (5 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-20230040259-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | TRPC5, TRPC7, TRPC4 | SMN1; SMN2 1307/4885CYP1A2 2502/4885CYP3A4 2170/4885 |
| US-20170305910-A1 | Substituted Xanthines and Methods of Use Thereof | TRPC5, TRPC7, TRPC4 | SMN1; SMN2 1307/4885CYP1A2 2502/4885CYP3A4 2170/4885 |
| US-10399982-B2 | Substituted xanthines and methods of use thereof | TRPC5, TRPC7, TRPC4 | SMN1; SMN2 1307/4885CYP1A2 2502/4885CYP3A4 2170/4885 |
| US-11208409-B2 | Substituted xanthines and methods of use thereof | TRPC5, TRPC7, TRPC4 | SMN1; SMN2 1307/4885CYP1A2 2502/4885CYP3A4 2170/4885 |
| US-20190322667-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | TRPC5, TRPC7, TRPC4 | SMN1; SMN2 1307/4885CYP1A2 2502/4885CYP3A4 2170/4885 |
“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.