Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3343094 | 0.93 | ALDH1A1 (0.45) | CYP1A2CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL12651501 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL12651500 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19CYP3A4CYP19A1 | |
| Trifluoroacetic Acid SCHEMBL3042666 | 0.82 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL1790344 | 0.82 | ALDH1A1 (0.47) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL3346088 | 0.81 | RAD52 (0.40) | ALDH1A1KDM4EKCNH2FASNHTR5A | |
| Trifluoroacetic Acid SCHEMBL3340019 | 0.79 | SLC2A1 (0.41) | MEN1KMT2AFASNHTR5A | |
| SCHEMBL16194993 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19CYP3A4CYP19A1 | |
| Trifluoroacetic Acid SCHEMBL3340376 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EMEN1KMT2ARARB | |
| Trifluoroacetic Acid SCHEMBL3340913 | 0.76 | ALDH1A1 (0.44) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E |
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-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | GLAXOSMITHKLINE LLC | 2014-10-30 | — | — | 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-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | OPRL1, OPRM1, OPRK1 | CYP1A2 2005/4885CYP2D6 1435/4885CYP2C19 2309/4885 |
“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.