Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.77 |
| ▸ | TSHR | P16473 | 7/20 | 0.77 |
| ▸ | MAPT | P10636 | 4/20 | 0.77 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | MEN1 | O00255 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | XBP1 | P17861 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.51 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.51 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19505591 | 0.91 | ALDH1A1 (0.76) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16076233 | 0.89 | TSHR (0.63) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16076235 | 0.88 | TSHR (0.78) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL21499679 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16076164 | 0.82 | MAPT (0.61) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16076179 | 0.82 | MAPT (0.61) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16076165 | 0.82 | TSHR (0.68) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL18834230 | 0.82 | TSHR (0.70) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL18834862 | 0.81 | BRAF (0.63) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL16079036 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRMAPTNPSR1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20160237089-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. | 2016-08-18 | — | — | US | disclosed |
| US-20140275071-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2014-09-18 | — | — | 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 (3 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-20170305910-A1 | Substituted Xanthines and Methods of Use Thereof | TRPC5, TRPC7, TRPC4 | ALDH1A1 1647/4885TSHR 4540/4885MAPT 2951/4885 |
| US-20140275071-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | TRPC5, TRPC7, TRPC4 | ALDH1A1 1647/4885TSHR 4540/4885MAPT 2951/4885 |
| US-20160237089-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | TRPC5, TRPC7, TRPC4 | ALDH1A1 1647/4885TSHR 4540/4885MAPT 2951/4885 |
“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.