Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.33 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | 0.90 | LOXL2 (0.40) | LOXL2CYP2A6HTTNPC1GAA | |
| SCHEMBL6824414 | 0.84 | SLC6A2 (0.36) | GAAESR1ESR2ALDH1A1L3MBTL1 | |
| SCHEMBL6821464 | 0.82 | ESR1 (0.37) | ESR1ESR2HDAC2IDO1 | |
| SCHEMBL6826921 | 0.80 | LOXL2 (0.42) | LOXL2CYP2A6HTTNPC1GAA | |
| SCHEMBL4656221 | 0.77 | LOXL2 (0.47) | LOXL2CYP2A6HTTNPC1GAA | |
| SCHEMBL9458406 | 0.76 | TSHR (0.50) | LOXL2CYP2A6SNCATSHRHSD17B10 | |
| SCHEMBL4657566 | 0.76 | LOXL2 (0.41) | LOXL2CYP2A6HTTNPC1GAA | |
| SCHEMBL6823966 | 0.74 | ESR1 (0.53) | ESR1ESR2ALDH1A1 | |
| SCHEMBL6824824 | 0.74 | SLC6A2 (0.38) | GAASMN1; SMN2ESR1ESR2ALDH1A1 | |
| SCHEMBL29120106 | 0.73 | ATM (0.39) | GAASMN1; SMN2ESR1ESR2ALDH1A1 |
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 | LOXL2 2261/4885CYP2A6 696/4885SNCA 759/4885 |
“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.