Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.39 |
| ▸ | PIK3R5 | Q8WYR1 | 3/20 | 0.39 |
| ▸ | PIK3R3 | Q92569 | 3/20 | 0.39 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7261984 | 0.86 | CYP2A13 (0.49) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5907238 | 0.85 | CYP2A13 (0.50) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5731706 | 0.83 | CYP2A13 (0.46) | CYP2A13SSTR5SMODRD2DRD4 | |
| SCHEMBL5907421 | 0.83 | CYP2A13 (0.46) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5907335 | 0.82 | CYP2A13 (0.47) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5730763 | 0.81 | KMT2A (0.46) | CYP2A13SSTR5DRD2DRD4DRD3 | |
| SCHEMBL5907359 | 0.81 | SMO (0.51) | CYP2A13SMOALDH1A1LMNAKMT2A | |
| SCHEMBL5907306 | 0.80 | CYP2A13 (0.45) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5907325 | 0.80 | CYP2A13 (0.45) | CYP2A13PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL5730793 | 0.80 | CYP2A13 (0.45) | CYP2A13MAPK14PIK3CDPIK3R2PIK3CA |
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-20060264419-A1 | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | US | disclosed |
| CN-1768051-A | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-05-03 | — | — | CN | 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-20060264419-A1 | Substituted pyrazoles | HTR3A, HTR1A, HTR1D | CYP2A13 659/4885MAPK14 3592/4885PIK3CD 4385/4885 |
“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.