Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 9/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16412736 | 0.89 | CRBN (0.49) | SMYD3AHRALDH1A1GAAGFER | |
| SCHEMBL27805289 | 0.86 | SMYD3 (0.51) | SMYD3MAOBAHRGAAEPHX2 | |
| SCHEMBL20424754 | 0.85 | SMYD3 (0.50) | SMYD3MAOBAHRGAAEPHX2 | |
| SCHEMBL31225613 | 0.83 | SMYD3 (0.48) | SMYD3MAOBAHRGAAEPHX2 | |
| SCHEMBL29599196 | 0.82 | SMYD3 (0.57) | SMYD3MAOBAHRALDH1A1GAA | |
| SCHEMBL1162266 | 0.82 | SMYD3 (0.57) | SMYD3MAOBAHRALDH1A1GAA | |
| SCHEMBL20778967 | 0.81 | SMYD3 (0.60) | SMYD3MAOBAHREPHX2GRIA1 | |
| SCHEMBL578533 | 0.79 | MAOB (0.56) | SMYD3MAOBAHREPHX2ABCB1 | |
| SCHEMBL1711695 | 0.79 | MAOB (0.48) | SMYD3MAOBALDH1A1GAAGFER | |
| SCHEMBL16412794 | 0.79 | CHEK1 (0.49) | SMYD3ALDH1A1GAAGFEREPHX2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2986600-B1 | SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-07-05 | — | — | EP | disclosed |
| US-9527832-B2 | Substituted condensed pyrimidine compounds | Grünenthal GmbH (DE) | 2016-12-27 | — | — | US | disclosed |
| EP-2986600-A1 | SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-02-24 | — | — | EP | disclosed |
| US-20160031857-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-02-04 | — | — | US | disclosed |
| WO-2014170020-A1 | SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2014-10-23 | — | — | WO | disclosed |
| EP-0221958-A4 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | LOUIS WILLIAM JOHN (AU) | 1987-11-25 | — | — | EP | disclosed |
| EP-0221958-A1 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | LOUIS WILLIAM JOHN (AU) | 1987-05-20 | — | — | EP | disclosed |
| WO-1986006717-A1 | 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LOUIS WILLIAM JOHN (AU) | 1986-11-20 | — | — | 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-20160031857-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | TYMP, PDE4A, DPYD | SMYD3 2453/4885MAOB 199/4885AHR 3625/4885 |
“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.