Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4822950 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4813756 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4813877 | 0.81 | SLC6A4 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL29031369 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4661582 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4660164 | 0.76 | SMN1; SMN2 (0.41) | ALDH1A1SLC6A4SLC6A2HPGDMEN1 | |
| SCHEMBL4822975 | 0.75 | PBRM1 (0.46) | ALDH1A1SLC6A4SLC6A2HPGDMAPT | |
| SCHEMBL4660088 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CYP2A6CYP2C9CYP2C19HPGD | |
| SCHEMBL4816417 | 0.73 | SLC6A2 (0.43) | CYP2A6CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL5692111 | 0.72 | ALDH1A1 (0.55) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7425580-B2 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2008-09-16 | — | — | US | claimed |
| EP-1747192-A1 | (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS | Wyeth (US) | 2007-01-31 | — | — | EP | claimed |
| US-20060014831-A1 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2006-01-19 | — | — | US | claimed |
| WO-2005121076-A1 | (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS | WYETH (US) | 2005-12-22 | — | — | WO | claimed |
| US-7425580-B2 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2008-09-16 | — | — | US | disclosed |
| EP-1747192-A1 | (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS | Wyeth (US) | 2007-01-31 | — | — | EP | disclosed |
| US-20060014831-A1 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2006-01-19 | — | — | US | disclosed |
| WO-2005121076-A1 | (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS | WYETH (US) | 2005-12-22 | — | — | 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-20060014831-A1 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | ESR1, ESR2, GPER1 | ALDH1A1 409/4885CYP2A6 64/4885CYP1A2 104/4885 |
“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.