Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14542581 | 0.81 | CYP2D6 (0.76) | CYP2D6CYP1A2CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL18137970 | 0.80 | ALDH1A1 (0.50) | CYP2D6CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL6114956 | 0.78 | TNF (0.46) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6115125 | 0.77 | TNF (0.49) | CYP2D6CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL21674319 | 0.77 | KDM4E (0.55) | CYP2D6CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL6114803 | 0.75 | TNF (0.44) | KDM4EL3MBTL1ALDH1A1LMNATNF | |
| SCHEMBL6115311 | 0.74 | TDP1 (0.47) | L3MBTL1TNFKCNH2CNR1 | |
| SCHEMBL18714766 | 0.73 | CYP2D6 (0.73) | CYP2D6CYP1A2CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL6114990 | 0.73 | TDP1 (0.46) | L3MBTL1TNFKCNH2CNR1 | |
| SCHEMBL6115127 | 0.73 | TDP1 (0.46) | L3MBTL1TNFKCNH2CNR1 |
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-20160297823-A1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INSTITUTE FOR DRUG DISCOVERY, LLC | 2016-10-13 | — | — | 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-20160297823-A1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | CMA1, CHIA, AADAC | CYP2D6 494/4885CYP1A2 569/4885CYP2C19 298/4885 |
“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.