Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | HTR3A | P46098 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL753194 | 0.83 | MAOA (0.68) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| Hydrochloric Acid SCHEMBL27783041 | 0.81 | MAOA (0.66) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL355647 | 0.80 | NR1H4 (0.56) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL7483683 | 0.78 | MAOA (0.61) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL196719 | 0.78 | ADRB2 (0.56) | ADRB2ADRB1ADRB3GAAJAK2 | |
| SCHEMBL145288 | 0.77 | GAA (0.66) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL233851 | 0.76 | ABL1 (0.42) | NR1H4KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL3865922 | 0.76 | GAA (0.64) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL5063447 | 0.75 | CHRM2 (0.54) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL24740792 | 0.74 | HTR3A (0.64) | CHRM2CHRM3MAOAHTR2CCHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040162326-A1 | Substituted aryl ketones | MULLER KLAUS-HELMUT (DE) | 2004-08-19 | — | — | US | disclosed |
| US-6727206-B2 | USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-27 | — | — | US | disclosed |
| US-20030228983-A1 | Substituted aryl ketones | MULLER KLAUS-HELMUT (DE) | 2003-12-11 | — | — | US | disclosed |
| US-6610631-B1 | 2-(2-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-sulphanyl) -4-trifluoromethyl-benzoyl)-1,3-cyclohexanedione used as pre-/postemergences herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-26 | — | — | 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-20040162326-A1 | Substituted aryl ketones | CYP1A1, CYP1B1, CYP2E1 | CHRM2 841/4885CHRM3 903/4885MAOA 1054/4885 |
| US-20030228983-A1 | Substituted aryl ketones | CYP1A1, CYP1B1, CYP2E1 | CHRM2 841/4885CHRM3 903/4885MAOA 1054/4885 |
“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.