Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1180146 | 0.86 | MAPK1 (0.40) | ESR1MAPK1ALDH1A1PKMGAA | |
| SCHEMBL1178563 | 0.86 | ESR1 (0.42) | ESR1CTSAALDH1A1GAANOS3 | |
| SCHEMBL1180045 | 0.78 | MAPK1 (0.47) | MAPK1ALDH1A1GAAKCNH3KMT2A | |
| SCHEMBL24754504 | 0.78 | HCAR2 (0.39) | ESR1MAPK1CTSAGAANOS3 | |
| SCHEMBL27828594 | 0.75 | CTSA (0.37) | ESR1CTSAGAANOS3NOS1 | |
| SCHEMBL1178906 | 0.74 | NOS2 (0.54) | ESR1CTSANOS3NOS1NOS2 | |
| SCHEMBL1180248 | 0.74 | NOS3 (0.36) | ESR1CTSAALDH1A1GAANOS3 | |
| SCHEMBL1179525 | 0.74 | LMNA (0.57) | CTSAALDH1A1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL1424993 | 0.73 | NOS2 (0.53) | CTSAALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL12120830 | 0.73 | FABP3 (0.41) | ESR1CTSAGAANOS3NOS1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217594-B1 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-01-08 | — | — | EP | disclosed |
| CN-101970430-B | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2013-05-08 | — | — | CN | disclosed |
| US-8299086-B2 | Pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-30 | — | — | US | disclosed |
| US-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-02-24 | — | — | US | disclosed |
| CN-101970430-A | Novel pyrimidine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-09 | — | — | CN | disclosed |
| CN-101965346-A | Novel pyrimidine-pyridine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-02 | — | — | CN | disclosed |
| US-20100234346-A1 | NOVEL PYRIMIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-16 | — | — | 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 (2 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-20100234346-A1 | NOVEL PYRIMIDINE DERIVATIVES | TYMP, TYMS, DPYD | ESR1 4611/4885MAPK1 2392/4885CTSA 3475/4885 |
| US-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | TYMP, DPYD, ENTPD5 | ESR1 3891/4885MAPK1 1679/4885CTSA 1925/4885 |
“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.