Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13278174 | 0.89 | CA2 (0.57) | CA2CA12CA1CA7CA9 | |
| SCHEMBL27488112 | 0.86 | GABRA1 (0.46) | CA2CA12CA1CA7CA9 | |
| SCHEMBL27379544 | 0.84 | GABRA1 (0.47) | CA2CA12CA1CA9CA14 | |
| SCHEMBL21127546 | 0.83 | CA12 (0.44) | CA2CA12CA1CA7CA9 | |
| SCHEMBL12251420 | 0.83 | CA12 (0.56) | CA2CA12CA1CA7CA9 | |
| SCHEMBL403705 | 0.82 | CA12 (0.64) | CA2CA12CA1CA7CA9 | |
| SCHEMBL13208390 | 0.81 | CA2 (0.48) | CA2CA12CA1CA7CA9 | |
| SCHEMBL25066520 | 0.79 | GABRA1 (0.53) | CA2GABRA1GABRB2NLRP3TSHR | |
| SCHEMBL70172 | 0.79 | CA12 (0.59) | CA2CA12CA1CA7CA9 | |
| SCHEMBL17245281 | 0.78 | CA12 (0.46) | CA2CA12CA1CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9765057-B2 | 3-ester-4 substituted orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-09-19 | — | — | US | disclosed |
| US-9765057-B2 | 3-ester-4 substituted orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-09-19 | — | — | US | disclosed |
| US-20150322040-A1 | 3-ESTER-4 SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | 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-20150322040-A1 | 3-ESTER-4 SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY4R | CA2 1551/4885CA12 2600/4885CA1 1029/4885 |
“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.