Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657486 | 0.86 | TAAR1 (0.36) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL6824027 | 0.84 | ALDH1A1 (0.43) | ALDH1A1SLC6A2SLC6A4ESR1ESR2 | |
| SCHEMBL6824229 | 0.83 | ESR1 (0.39) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL6824025 | 0.81 | ACACB (0.38) | ALDH1A1SLC6A4KCNH2MEN1KMT2A | |
| SCHEMBL4657483 | 0.81 | TAAR1 (0.43) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL4657451 | 0.81 | TAAR1 (0.39) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL6840018 | 0.80 | ESR1 (0.37) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL6826907 | 0.79 | ESR1 (0.41) | ALDH1A1ESR1ESR2TAAR1PYCR1 | |
| SCHEMBL6835187 | 0.79 | ESR1 (0.36) | ESR1ESR2TAAR1PYCR1MEN1 | |
| SCHEMBL4656480 | 0.78 | TAAR1 (0.37) | ALDH1A1ESR1ESR2TAAR1PYCR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1523958-A | Pesticide compositions comprising malononitrile compounds | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-08-25 | — | — | CN | disclosed |
| 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 | ALDH1A1 867/4885SLC6A2 3529/4885SLC6A4 3743/4885 |
“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.