Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5001946 | 0.86 | CYP2A6 (0.41) | ESR1ESR2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL4658834 | 0.84 | MAOA (0.33) | ESR1ESR2ALDH1A1IDO1TAAR1 | |
| SCHEMBL4658745 | 0.83 | ESR1 (0.41) | ESR1ESR2 | |
| SCHEMBL4658860 | 0.83 | SLC6A4 (0.39) | ESR1ESR2ALDH1A1IDO1TAAR1 | |
| SCHEMBL4657371 | 0.83 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL4657451 | 0.83 | TAAR1 (0.39) | ESR1ESR2ALDH1A1IDO1TAAR1 | |
| SCHEMBL4657566 | 0.83 | LOXL2 (0.41) | CYP2A6IDO1GAA | |
| SCHEMBL4723541 | 0.83 | MAOB (0.33) | ESR1ESR2ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL4657447 | 0.82 | ATM (0.40) | ALDH1A1CYP1A2TAAR1ATM | |
| SCHEMBL4657428 | 0.82 | ALDH1A1 (0.39) | ALDH1A1IDO1ARTAAR1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385817-B1 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-7402691-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-7011838-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-03-14 | — | — | US | disclosed |
| US-20050209323-A1 | Malononitrile compounds and their use as pesticides | OTAKA KEN | 2005-09-22 | — | — | US | disclosed |
| US-20040138065-A1 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-15 | — | — | 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-20050209323-A1 | Malononitrile compounds and their use as pesticides | C1S, C1R, C5 | ESR1 4561/4885ESR2 4792/4885ALDH1A1 1502/4885 |
| US-20040138065-A1 | Malononitrile compounds and their use as pesticides | CBR1, MAL2, CBR3 | ESR1 4835/4885ESR2 4741/4885ALDH1A1 614/4885 |
“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.