Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6821464 | 0.91 | ESR1 (0.37) | ESR1ESR2TAAR1IDO1KIF11 | |
| SCHEMBL4657280 | 0.86 | ESR1 (0.38) | ESR1ESR2TAAR1IDO1KIF11 | |
| SCHEMBL6821304 | 0.84 | IDO1 (0.35) | IDO1ALDH1A1KDM4E | |
| SCHEMBL6835174 | 0.84 | TAAR1 (0.38) | ESR1ESR2TAAR1IDO1KIF11 | |
| SCHEMBL4657483 | 0.82 | TAAR1 (0.43) | ESR1ESR2TAAR1IDO1KIF11 | |
| SCHEMBL4657451 | 0.82 | TAAR1 (0.39) | ESR1ESR2TAAR1IDO1KIF11 | |
| SCHEMBL6824683 | 0.81 | ALDH1A1 (0.34) | MAOBALDH1A1 | |
| SCHEMBL6823966 | 0.81 | ESR1 (0.53) | ESR1ESR2ALDH1A1 | |
| SCHEMBL6825146 | 0.81 | LOXL2 (0.40) | ESR1ESR2IDO1MAOB | |
| SCHEMBL6824824 | 0.81 | SLC6A2 (0.38) | ESR1ESR2IDO1MAOBALDH1A1 |
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 1 patent. 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 |
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 4564/4885TAAR1 564/4885 |
“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.