Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL48607 | 0.97 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| SCHEMBL29389102 | 0.97 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| Hydrazine SCHEMBL27687525 | 0.93 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| Methylene Chloride SCHEMBL27781503 | 0.89 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| Ethylene Glycol SCHEMBL28725409 | 0.87 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| SCHEMBL18002551 | 0.83 | NFE2L2 (0.67) | ALDH1A1SMN1; SMN2NFE2L2PTGS2RAB9A | |
| Benzidine SCHEMBL6692243 | 0.82 | KIF11 (0.45) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| Acrylic Acid SCHEMBL28129825 | 0.82 | PLA2G7 (0.42) | ALDH1A1SMN1; SMN2NFE2L2PTGS2KDM4E | |
| SCHEMBL3430702 | 0.82 | NFE2L2 (0.52) | ALDH1A1SMN1; SMN2NFE2L2KDM4EPLA2G7 | |
| 3-Hydroxybenzaldehyde SCHEMBL7545336 | 0.80 | CCNB2 (0.49) | ALDH1A1NFE2L2PTGS2KDM4ERAB9A |
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-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | 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-20050245554-A1 | Substituted pyrimidines | CNR1, CNR2, GPR119 | ALDH1A1 3049/4885SMN1; SMN2 710/4885NFE2L2 1642/4885 |
“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.