Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | MGLL | Q99685 | 3/20 | 0.56 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL636977 | 0.85 | CYP1A2 (0.66) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL2103545 | 0.83 | CYP1A2 (0.70) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL10195654 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL10459207 | 0.82 | CYP1A2 (0.69) | CYP1A2CYP2D6MGLL | |
| SCHEMBL8776624 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL25302392 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL25302393 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL25299908 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL18424173 | 0.80 | CYP1A2 (0.73) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL26042174 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP2D6MGLLFAAH |
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-8119806-B2 | Cicletanine derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |
| WO-2010014516-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK & CO., INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| US-20100029678-A1 | DIURETICS | MERCK SHARP & DOHME CORP. | 2010-02-04 | — | — | 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-20100029678-A1 | DIURETICS | NR3C2, REN, NR3C1 | CYP1A2 734/4885CYP2D6 841/4885MGLL 4518/4885 |
“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.