Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18019652 | 0.88 | ALDH1A1 (0.46) | ALDH1A1HPGDGAAMEN1KMT2A | |
| SCHEMBL5081412 | 0.84 | KMT2A (0.59) | ALDH1A1HPGDMEN1KMT2APOLB | |
| SCHEMBL4034002 | 0.81 | CYP2C19 (0.60) | ALDH1A1GAAMEN1KMT2ATSHR | |
| SCHEMBL12936131 | 0.79 | HSD17B10 (0.58) | ALDH1A1POLBCYP2C19SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL12804218 | 0.77 | HSD17B10 (0.56) | ALDH1A1POLBCYP2C19SMN1; SMN2MAPT | |
| SCHEMBL14615541 | 0.75 | SLC6A4 (0.51) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL18019870 | 0.74 | THRB (0.47) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4030433 | 0.74 | ALDH1A1 (0.66) | ALDH1A1HPGDMEN1KMT2ATSHR | |
| SCHEMBL2579071 | 0.73 | PKM (0.58) | ALDH1A1MEN1KMT2AHTTL3MBTL1 | |
| SCHEMBL5076810 | 0.73 | TAAR1 (0.65) | ALDH1A1HPGDMEN1KMT2APOLB |
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 3 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 |
| WO-2016128140-A1 | PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2016-08-18 | — | — | 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 (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 | ALDH1A1 216/4885HPGD 391/4885GAA 2514/4885 |
“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.