Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL17187834 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| Hydrochloric Acid SCHEMBL2150791 | 0.98 | ALDH1A1 (0.41) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| SCHEMBL17187810 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP2A6ALDH1A1HTR2CHTR2A | |
| SCHEMBL17187824 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| SCHEMBL26728094 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP2A6CYP3A4ALDH1A1LMNA | |
| SCHEMBL19682341 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2A6ALDH1A1HTR2CHTR2A | |
| SCHEMBL13680775 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| SCHEMBL19682577 | 0.79 | SLC1A1 (0.42) | — | |
| SCHEMBL20889371 | 0.79 | SLC1A1 (0.42) | — | |
| SCHEMBL19682348 | 0.78 | CYP1A2 (0.37) | CYP1A2CYP2A6ALDH1A1IDO1CYP2C9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9133140-B2 | Cycloalkylamne derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-9133140-B2 | Cycloalkylamne derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20120295943-A9 | CYCLOALKYLAMINE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-11-22 | — | — | US | disclosed |
| US-20120295943-A9 | CYCLOALKYLAMINE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-11-22 | — | — | US | disclosed |
| US-20120122941-A1 | CYCLOALKYLAMINE DERIVATIVES | MARUMOTO SHINJI (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20120122941-A1 | CYCLOALKYLAMINE DERIVATIVES | MARUMOTO SHINJI (JP) | 2012-05-17 | — | — | US | disclosed |
| WO-2010021351-A1 | CYCLOALKYLAMINE DERIVATIVE | 第一三共株式会社 (JP) | 2010-02-25 | — | — | 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 (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-20120295943-A9 | CYCLOALKYLAMINE DERIVATIVES | CASR, CALCR, CALCRL | CYP1A2 3564/4885CYP2A6 2142/4885CYP3A4 4293/4885 |
| US-20120122941-A1 | CYCLOALKYLAMINE DERIVATIVES | CASR, CALCR, CALCRL | CYP1A2 3564/4885CYP2A6 2142/4885CYP3A4 4293/4885 |
“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.