Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL787533 | 0.82 | CYP1A2 (0.69) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL25567953 | 0.81 | SMN1; SMN2 (0.50) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15709524 | 0.80 | CYP1A2 (0.67) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL25567963 | 0.77 | PKM (0.46) | CYP1A2PKMSMN1; SMN2HRH2HRH1 | |
| SCHEMBL15641634 | 0.76 | CHRM5 (0.50) | CHRM5CHRM3ALDH1A1RAB9A | |
| SCHEMBL8520670 | 0.76 | CYP1A2 (0.49) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL6225370 | 0.74 | GNAI3 (0.44) | CYP1A2CHRM5CHRM3HRH3 | |
| Hydrochloric Acid SCHEMBL28231389 | 0.74 | CYP1A2 (0.47) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL805882 | 0.73 | PKM (0.60) | CYP1A2PKMSMN1; SMN2CYP2C9ALDH1A1 | |
| SCHEMBL23464918 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718841-B2 | Bicyclic pyrazolone compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170183358-A1 | BICYCLIC PYRAZOLONE COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2017-06-29 | — | — | 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-20170183358-A1 | BICYCLIC PYRAZOLONE COMPOUNDS AND METHODS OF USE | MET, RET, ERBB2 | CYP1A2 3627/4885CHRM5 3605/4885CHRM3 2793/4885 |
“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.