Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12238398 | 0.88 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL13119403 | 0.86 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL1762967 | 0.85 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL3933553 | 0.85 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL1473243 | 0.81 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL4070811 | 0.79 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL2629197 | 0.79 | CYP3A4 (0.65) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL2629228 | 0.79 | CYP3A4 (0.47) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10292446 | 0.79 | CYP3A4 (0.47) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL1472512 | 0.79 | CYP2C9 (0.38) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7501419-B2 | 4-Squarylpiperazine derivatives as antiviral agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-10 | — | — | US | disclosed |
| US-20070249624-A1 | 4-Squarylpiperazine Derivatives as Antiviral Agents | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | 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-20070249624-A1 | 4-Squarylpiperazine Derivatives as Antiviral Agents | MAVS, MTAP, SAMHD1 | CYP2C9 1983/4885CYP3A4 110/4885CYP2D6 376/4885 |
“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.