Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL5509592 | 0.89 | SLC6A2 (0.47) | CYP2D6TSHRSLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL18038811 | 0.88 | OPRL1 (0.47) | CYP2D6TSHRSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL29057868 | 0.83 | SLC6A2 (0.40) | CYP2D6SLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL27948436 | 0.83 | CYP3A4 (0.32) | CYP2D6CYP3A4TSHRSLC6A4SLC6A2 | |
| SCHEMBL1740342 | 0.81 | OPRL1 (0.46) | CYP2D6TSHRSLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL9938014 | 0.80 | OPRL1 (0.49) | SLC6A4SLC6A2SLC6A3OPRL1OPRM1 | |
| SCHEMBL4206116 | 0.79 | OPRL1 (0.56) | SLC6A4SLC6A2SLC6A3OPRL1OPRM1 | |
| SCHEMBL735823 | 0.79 | OPRL1 (0.56) | TSHRSLC6A4SLC6A2SLC6A3OPRL1 | |
| Trifluoroacetic Acid SCHEMBL21199460 | 0.78 | SLC6A2 (0.40) | CYP2D6SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL613290 | 0.78 | OPRL1 (0.51) | CYP2D6TSHRSLC6A4SLC6A2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| US-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | 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-20180118721-A1 | PYRIMIDINE DERIVATIVES | MTHFD1, TYMS, DPYD | CYP2D6 631/4885CYP3A4 1630/4885TSHR 2945/4885 |
“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.