Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29985602 | 0.86 | TLR7 (0.40) | SLC6A2HDAC8CRHR1 | |
| SCHEMBL31429234 | 0.81 | PDE10A (0.40) | SLC6A2SLC6A4SLC6A3HDAC8SRC | |
| SCHEMBL5764690 | 0.79 | SLC6A2 (0.43) | SLC6A2HDAC8MEN1KMT2APKM | |
| SCHEMBL26777099 | 0.76 | SCN10A (0.37) | ADORA2AADORA1ADORA3 | |
| SCHEMBL10123647 | 0.76 | SLC6A2 (0.44) | ADORA2AADORA1ADORA3SLC6A2MEN1 | |
| SCHEMBL11604153 | 0.75 | HDAC8 (0.38) | ADORA2ASLC6A2SLC6A4SLC6A3HDAC8 | |
| SCHEMBL17274873 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HDAC8GAA | |
| SCHEMBL2914478 | 0.75 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3HDAC8GAA | |
| SCHEMBL10173626 | 0.74 | ALDH1A1 (0.39) | ADORA2ASLC6A2HDAC8MEN1KMT2A | |
| SCHEMBL28166543 | 0.74 | GABRP (0.37) | SLC6A2SLC6A4SLC6A3HDAC8CRHR1 |
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-20120053181-A1 | PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-03-01 | — | — | 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-20120053181-A1 | PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ADORA2A 228/4885ADORA1 137/4885ADORA3 30/4885 |
“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.