Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.62 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.62 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.62 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.62 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7320966 | 0.78 | KMT2A (0.47) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL21056095 | 0.77 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL29061079 | 0.76 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL9824671 | 0.74 | CES2 (0.50) | CES2CES1ALDH1A1POLBKMT2A | |
| SCHEMBL8532480 | 0.73 | POLB (0.41) | CES2CES1ALDH1A1TRPA1NPSR1 | |
| SCHEMBL28260941 | 0.73 | NR4A1 (0.46) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL7308873 | 0.73 | CTSD (0.43) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL9487828 | 0.72 | CES2 (0.48) | CES2CES1ALDH1A1POLBKMT2A | |
| SCHEMBL25680264 | 0.72 | CES2 (0.48) | CES2CES1ALDH1A1POLBKMT2A | |
| SCHEMBL25680262 | 0.72 | CES2 (0.48) | CES2CES1ALDH1A1POLBKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116496191-A | Preparation method of polysubstituted alkenyl thioether compound | 浙江大学 | 2023-07-28 | — | — | CN | disclosed |
| CN-108947890-B | Method for preparing disubstituted 4-aminocarbazole compound | 台州学院 | 2020-08-04 | — | — | CN | disclosed |
| US-9951020-B2 | Methods of making 2-halonicotinonitriles | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2018-04-24 | — | — | US | disclosed |
| US-9951020-B2 | Methods of making 2-halonicotinonitriles | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2018-04-24 | — | — | US | disclosed |
| US-20160221951-A1 | METHODS OF MAKING 2-HALONICOTINONITRILES | VIRGINIA COMMONWEALTH UNIVERSITY | 2016-08-04 | — | — | US | disclosed |
| US-20160221951-A1 | METHODS OF MAKING 2-HALONICOTINONITRILES | VIRGINIA COMMONWEALTH UNIVERSITY | 2016-08-04 | — | — | US | disclosed |
| WO-2015031718-A1 | METHODS OF MAKING 2-HALONICOTINONITRILES | MCQUADE D TYLER (US) | 2015-03-05 | — | — | WO | disclosed |
| 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 |
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-20160221951-A1 | METHODS OF MAKING 2-HALONICOTINONITRILES | NISCH, HCN2, HCN1 | GABRA1 4531/4885GABRG2 4492/4885GABRB3 4288/4885 |
| US-20040142821-A1 | Pesticide composition comprising malononitrile compounds | CBR1, CBR3, ME1 | GABRA1 3081/4885GABRG2 4022/4885GABRB3 3691/4885 |
“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.