Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 3/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 2/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670157 | 0.83 | ALDH1A1 (0.30) | TSHR | |
| SCHEMBL27695544 | 0.76 | CA2 (0.50) | TSHRZDHHC20ZDHHC2CA2CA1 | |
| SCHEMBL27695543 | 0.74 | FDPS (0.41) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL27695558 | 0.74 | TSHR (0.35) | TSHRZDHHC20ZDHHC2HPGD | |
| Dimethylamine SCHEMBL27558837 | 0.73 | ZDHHC20 (0.42) | TSHRZDHHC20ZDHHC2HPGDCA1 | |
| SCHEMBL23653300 | 0.71 | ZDHHC20 (0.50) | TSHRZDHHC20ZDHHC2PLA2G2CHPGD | |
| SCHEMBL325417 | 0.70 | ZDHHC20 (0.46) | TSHRZDHHC20ZDHHC2HPGDCA1 | |
| SCHEMBL17624940 | 0.69 | TAS1R3 (0.33) | TSHR | |
| Dimethylamine SCHEMBL29270824 | 0.69 | ZDHHC20 (0.38) | TSHRZDHHC20ZDHHC2HPGDCA2 | |
| Fluoride SCHEMBL28021589 | 0.69 | ZDHHC20 (0.45) | TSHRZDHHC20ZDHHC2HPGDCA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210332054-A1 | [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-10-28 | — | — | 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 (1 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-20210332054-A1 | [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS | ERBB2, ERBB3, ERBB4 | TSHR 694/4885ZDHHC20 4080/4885ZDHHC2 4094/4885 |
“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.