Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.51 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919277 | 0.89 | ALDH1A1 (0.46) | TRPA1MRGPRX1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21611547 | 0.82 | TRPA1 (0.53) | TRPA1MRGPRX1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9607636 | 0.75 | TTBK1 (0.45) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21611534 | 0.75 | MAPT (0.56) | TRPA1MRGPRX1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL12825874 | 0.73 | KDR (0.47) | TRPA1MRGPRX1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15577667 | 0.71 | KMO (0.40) | TRPA1RAB9ANPC1 | |
| SCHEMBL5175480 | 0.71 | NFE2L2 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL3817132 | 0.70 | PDPK1 (0.45) | ALDH1A1CYP1A2CYP2C19KDM4EMEN1 | |
| SCHEMBL12825471 | 0.69 | MEN1 (0.45) | TRPA1MRGPRX1ALDH1A1MEN1KMT2A | |
| SCHEMBL9607653 | 0.68 | LMNA (0.37) | MRGPRX1ALDH1A1CYP2C9KDM4EKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8609676-B2 | 4, 5, 6-trisubstituted pyrimidine derivatives as factor IXa inhibitors | MERCK SHARP & DOHME, CORP. (US) | 2013-12-17 | — | — | US | disclosed |
| EP-2462123-B1 | 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2462123-B1 | 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2462123-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | Schering Corporation (US) | 2012-06-13 | — | — | EP | disclosed |
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | 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-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | F9, F8, F12 | TRPA1 4372/4885MRGPRX1 1970/4885ALDH1A1 569/4885 |
“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.