Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL23824847 | 0.78 | TRPA1 (0.33) | CYP19A1SHBGALDH1A1L3MBTL1 | |
| SCHEMBL18806695 | 0.73 | CYP19A1 (0.43) | CYP19A1TSHRSHBGALDH1A1 | |
| SCHEMBL20277453 | 0.73 | CYP19A1 (0.43) | CYP19A1TSHRSHBGALDH1A1 | |
| SCHEMBL9243343 | 0.70 | — | — | |
| SCHEMBL11950868 | 0.70 | SHBG (0.41) | CYP19A1SHBGALDH1A1 | |
| SCHEMBL20278150 | 0.70 | SHBG (0.41) | CYP19A1SHBGALDH1A1 | |
| SCHEMBL13910067 | 0.70 | SHBG (0.41) | CYP19A1SHBGALDH1A1 | |
| SCHEMBL4227574 | 0.70 | SHBG (0.41) | CYP19A1SHBGALDH1A1 | |
| SCHEMBL21926361 | 0.70 | SHBG (0.41) | CYP19A1SHBGALDH1A1 | |
| SCHEMBL5224726 | 0.70 | CYP19A1 (0.31) | CYP19A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2644688-B1 | Novel pyrimidine derivatives and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-2644688-B1 | Novel pyrimidine derivatives and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-2851415-B1 | Novel quinazoline derivatives and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2016-04-27 | — | — | EP | disclosed |
| EP-2851415-B1 | Novel quinazoline derivatives and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2016-04-27 | — | — | EP | disclosed |
| EP-2851415-A1 | Novel quinazoline derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-03-25 | — | — | EP | disclosed |
| EP-2851415-A1 | Novel quinazoline derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-03-25 | — | — | EP | disclosed |
| US-8557876-B2 | Pyrimidine derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8557876-B2 | Pyrimidine derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8557876-B2 | Pyrimidine derivatives and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-10-15 | — | — | US | disclosed |
| EP-2644688-A2 | Novel pyrimidine derivatives and their use in perfume compositions | International Flavors & Fragrances Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2644688-A2 | Novel pyrimidine derivatives and their use in perfume compositions | International Flavors & Fragrances Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| US-20120277325-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-11-01 | — | — | US | disclosed |
| US-20120277325-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-11-01 | — | — | US | disclosed |
| US-20120277325-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2012-11-01 | — | — | 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-20120277325-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS | DPYD, HINT1, MTR | CA1 4606/4885CA2 4315/4885CA4 4589/4885 |
“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.