Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KRAS | P01116 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14720896 | 0.92 | GRM5 (0.46) | ESR2NR1H2MKNK1RORCHDAC1 | |
| SCHEMBL17542019 | 0.89 | HDAC1 (0.48) | ESR2NR1H2MKNK1RORCHDAC1 | |
| SCHEMBL25699835 | 0.87 | NR1H2 (0.58) | ESR2NR1H2HDAC1GRM5NPC1 | |
| SCHEMBL20304748 | 0.86 | SRD5A2 (0.50) | ESR2NR1H2HDAC1GRM5ADORA1 | |
| SCHEMBL20304747 | 0.86 | SRD5A2 (0.50) | ESR2NR1H2HDAC1GRM5ADORA1 | |
| SCHEMBL22112364 | 0.85 | ESR2 (0.46) | ESR2NR1H2HDAC1GRM5ADORA1 | |
| SCHEMBL20332701 | 0.84 | NR1H2 (0.48) | ESR2NR1H2HDAC1GRM5ADORA1 | |
| SCHEMBL21369533 | 0.80 | ESR2 (0.43) | ESR2NR1H2RORCHDAC1GRM5 | |
| SCHEMBL5341385 | 0.80 | ESR2 (0.43) | ESR2NR1H2RORCHDAC1GRM5 | |
| SCHEMBL5341383 | 0.80 | ESR2 (0.43) | ESR2NR1H2RORCHDAC1GRM5 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230399312-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-12-14 | — | — | US | disclosed |
| US-20230399312-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-12-14 | — | — | US | disclosed |
| US-20230399312-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-12-14 | — | — | US | disclosed |
| US-11673879-B2 | Substituted pyrimidines and methods of use | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-06-13 | — | — | US | disclosed |
| US-11673879-B2 | Substituted pyrimidines and methods of use | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-06-13 | — | — | US | disclosed |
| US-11673879-B2 | Substituted pyrimidines and methods of use | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-06-13 | — | — | US | disclosed |
| EP-4126824-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | Theravance Biopharma R&D IP, LLC (US) | 2023-02-08 | — | — | EP | disclosed |
| US-20220372015-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2022-11-24 | — | — | US | disclosed |
| WO-2021203131-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-10-07 | — | — | 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 (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-20220372015-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | ALK, TYMP, ENTPD5 | ESR2 1420/4885NR1H2 2739/4885MKNK1 1510/4885 |
| US-11673879-B2 | Substituted pyrimidines and methods of use | ALK, TYMP, ENTPD5 | ESR2 1420/4885NR1H2 2739/4885MKNK1 1510/4885 |
| US-20230399312-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | ALK, TYMP, ENTPD5 | ESR2 1420/4885NR1H2 2739/4885MKNK1 1510/4885 |
“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.