Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | CBFB | Q13951 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28764686 | 0.96 | CYP1A2 (0.57) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL8763499 | 0.89 | CBFB (0.39) | CYP2A6CYP1A2KDM4EGSTP1CBFB | |
| SCHEMBL14876962 | 0.84 | CYP1A2 (0.39) | CYP2A6CYP1A2KDM4ECBFBTSHR | |
| SCHEMBL98036 | 0.83 | ACHE (0.50) | CYP2A6CYP1A2ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL96668 | 0.81 | ALDH1A1 (0.58) | CYP2A6CYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL4570685 | 0.81 | CYP2A6 (0.54) | CYP2A6CYP1A2KDM4ECBFBALDH1A1 | |
| SCHEMBL29447161 | 0.81 | CYP1A2 (0.79) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL443070 | 0.81 | CYP1A2 (0.79) | CYP2A6CYP1A2KDM4EGSTP1HSD17B1 | |
| SCHEMBL97419 | 0.80 | CYP1A2 (0.52) | CYP2A6CYP1A2KDM4ECBFBPTGS1 | |
| SCHEMBL10254333 | 0.79 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP1A1CYP1B1TSHR |
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-20180081274-A1 | CATIONICALLY POLYMERIZABLE RESIST UNDERLAYER FILM-FORMING COMPOSITION | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| US-9728420-B2 | Organic film composition, process for forming organic film, patterning process, and compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20160336189-A1 | ORGANIC FILM COMPOSITION, PROCESS FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-11-17 | — | — | US | disclosed |
| US-20110092487-A1 | NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2011-04-21 | — | — | 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-20110092487-A1 | NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | SLC18A2, SLC6A2, SLC18A3 | CYP2A6 283/4885CYP1A2 174/4885KDM4E 1272/4885 |
| US-20160336189-A1 | ORGANIC FILM COMPOSITION, PROCESS FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND | CHRM1, CHRM2, POF1B | CYP2A6 3390/4885CYP1A2 562/4885KDM4E 2762/4885 |
“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.