Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | MYLK | Q15746 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.56 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.56 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.56 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.56 |
| ▸ | PRKX | P51817 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | GMNN | O75496 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL25532 | 0.89 | POLB (0.58) | CYP3A4MEN1CYP2C9KMT2ALMNA | |
| SCHEMBL10037158 | 0.81 | USP2 (0.51) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL2960623 | 0.78 | MEN1 (0.71) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL5650140 | 0.75 | KMT2A (0.77) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL31033068 | 0.75 | KMT2A (0.77) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL7837749 | 0.75 | SMN1; SMN2 (0.77) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL18138090 | 0.74 | KMT2A (0.75) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL19856464 | 0.74 | KMT2A (0.75) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL29764343 | 0.74 | CYP3A4 (0.55) | CYP3A4NFKB1CYP1A2TP53CYP2D6 | |
| SCHEMBL9281354 | 0.74 | CYP3A4 (0.73) | CYP3A4NFKB1CYP1A2TP53CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030068275-A1 | Coordination complexes for detecting analytes, and methods of making and using the same | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2003-04-10 | — | — | US | disclosed |
| EP-0836597-A1 | N-SUBSTITUTED PIPERAZINE NONOATES | THE UNITED STATES OF AMERICA (US) | 1998-04-22 | — | — | EP | disclosed |
| US-5721365-A | N-substituted piperazine NONOates | HEALTH AND HUMAN SERVICES, DEPARTMENT OF, UNITED STATES, AS REPRESENTED BY ITS SECRETARY | 1998-02-24 | — | — | US | disclosed |
| WO-1996040665-A1 | N-SUBSTITUTED PIPERAZINE NONOATES | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-12-19 | — | — | WO | 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-20030068275-A1 | Coordination complexes for detecting analytes, and methods of making and using the same | SPR, CACYBP, CA13 | CYP3A4 483/4885NFKB1 1942/4885CYP1A2 2101/4885 |
“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.