Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 4/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.38 |
| ▸ | TYK2 | P29597 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5730763 | 0.93 | KMT2A (0.46) | CYP2A13SLC2A1SSTR5CYP2C19ALDH1A1 | |
| SCHEMBL5732371 | 0.93 | SLC2A1 (0.45) | CYP2A13SLC2A1SSTR5CYP2C19CYP3A4 | |
| SCHEMBL5730793 | 0.90 | CYP2A13 (0.45) | CYP2A13SLC2A1SSTR5CYP2C19CYP3A4 | |
| SCHEMBL5907325 | 0.90 | CYP2A13 (0.45) | CYP2A13SLC2A1SSTR5CYP2C19CYP3A4 | |
| SCHEMBL5907306 | 0.90 | CYP2A13 (0.45) | CYP2A13SLC2A1SSTR5CYP2C19CYP3A4 | |
| SCHEMBL5907238 | 0.89 | CYP2A13 (0.50) | CYP2A13SSTR5CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5907262 | 0.88 | CYP2A13 (0.45) | CYP2A13SLC2A1SSTR5CYP3A4CYP2D6 | |
| SCHEMBL5907335 | 0.88 | CYP2A13 (0.47) | CYP2A13SSTR5ALDH1A1KMT2AADORA2A | |
| SCHEMBL5907245 | 0.87 | CYP2A13 (0.44) | CYP2A13SLC2A1SSTR5ALDH1A1KMT2A | |
| SCHEMBL5731706 | 0.87 | CYP2A13 (0.46) | CYP2A13SLC2A1SSTR5ALDH1A1KMT2A |
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 1 patent. 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 |
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 659/4885SLC2A1 1980/4885SSTR5 97/4885 |
“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.