Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825146 | 0.83 | LOXL2 (0.40) | ESR1ESR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6824824 | 0.83 | SLC6A2 (0.38) | ESR1ESR2KMT2AALDH1A1CYP1A2 | |
| SCHEMBL29120106 | 0.83 | ATM (0.39) | ESR1ESR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6841797 | 0.81 | ESR1 (0.39) | ESR1ESR2ALDH1A1 | |
| SCHEMBL6824720 | 0.78 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1CA2CA12 | |
| SCHEMBL6841775 | 0.77 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1CYP3A4BLM | |
| SCHEMBL6839267 | 0.77 | PTPRZ1 (0.41) | ESR1ESR2ALDH1A1 | |
| SCHEMBL6826925 | 0.77 | NQO1 (0.40) | ALDH1A1 | |
| SCHEMBL6821375 | 0.77 | HIF1A (0.42) | ESR1MEN1KMT2ACYP3A4THRB | |
| SCHEMBL6839986 | 0.76 | POLB (0.38) | KMT2AALDH1A1CYP1A2CYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040142821-A1 | Pesticide composition comprising malononitrile compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-22 | — | — | US | disclosed |
| EP-1385377-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089579-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | 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-20040142821-A1 | Pesticide composition comprising malononitrile compounds | CBR1, CBR3, ME1 | ESR1 4741/4885ESR2 4564/4885MEN1 1142/4885 |
“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.