Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4816018 | 0.90 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL4813877 | 0.87 | SLC6A4 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL4813756 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL5692111 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL14201713 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL30820045 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL4822975 | 0.80 | PBRM1 (0.46) | ALDH1A1SLC6A4HPGD | |
| SCHEMBL7595550 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| Hydrochloric Acid SCHEMBL15776039 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL1527193 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 |
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-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 409/4885CYP1A2 104/4885CYP2C9 383/4885 |
“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.