Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29508930 | 0.84 | NOD1 (0.57) | ADORA2AHTTMAPK1NOS2CYP1A2 | |
| SCHEMBL16826857 | 0.84 | NOD1 (0.57) | ADORA2AHTTMAPK1NOS2CYP1A2 | |
| SCHEMBL25782620 | 0.83 | MAPK1 (0.70) | ADORA2AHTTMAPK1AKT1AKT2 | |
| SCHEMBL15214855 | 0.82 | L3MBTL1 (0.56) | ADORA2AHTTMAPK1NOS2CYP1A2 | |
| SCHEMBL7168183 | 0.82 | NOS2 (0.53) | ADORA2AHTTMAPK1NOS2CYP1A2 | |
| SCHEMBL2309144 | 0.81 | MAPK1 (0.61) | HTTMAPK1NOS2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7167676 | 0.80 | NOS2 (0.52) | ADORA2AHTTMAPK1NOS2CYP1A2 | |
| SCHEMBL26017755 | 0.80 | ESR2 (0.60) | ADORA2AHTTMAPK1AKT1AKT2 | |
| SCHEMBL19374106 | 0.79 | ESR1 (0.67) | ADORA2AHTTMAPK1AKT1AKT2 | |
| SCHEMBL14947867 | 0.79 | ESR2 (0.55) | ADORA2AHTTMAPK1AKT1AKT2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-8518970-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-20120184541-A1 | COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2012-07-19 | — | — | US | disclosed |
| US-20120184541-A1 | COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2012-07-19 | — | — | US | disclosed |
| US-8114893-B2 | Compounds and methods of use | GENENTECH, INC. (US) | 2012-02-14 | — | — | US | disclosed |
| US-8114893-B2 | Compounds and methods of use | GENENTECH, INC. (US) | 2012-02-14 | — | — | 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-20120184541-A1 | COMPOUNDS AND METHODS OF USE | BCL2A1, BCL2, BAX | ADORA2A 1265/4885HTT 3456/4885MAPK1 3552/4885 |
“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.