Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 8/20 | 0.42 |
| ▸ | USP2 | O75604 | 8/20 | 0.42 |
| ▸ | CASP1 | P29466 | 8/20 | 0.42 |
| ▸ | CASP7 | P55210 | 8/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 5/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10077099 | 0.74 | HTR6 (0.49) | ADRB1ALDH1A1USP2HSD17B10HPGD | |
| SCHEMBL10077100 | 0.72 | HTR2C (0.40) | ADRB1ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL13118685 | 0.70 | ADRB1 (0.52) | ADRB1ALDH1A1CYP1A2CYP3A4USP2 | |
| SCHEMBL10078400 | 0.70 | HRH1 (0.40) | ADRB1CCNCCDK8 | |
| SCHEMBL4328483 | 0.68 | ADRB1 (0.47) | ADRB1ALDH1A1FLT3 | |
| SCHEMBL2868372 | 0.67 | HTR7 (0.62) | ADRB1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28340857 | 0.66 | ADRB1 (0.45) | ADRB1ALDH1A1FLT3 | |
| Hydrochloric Acid SCHEMBL2276826 | 0.66 | ADRB1 (0.45) | ADRB1ALDH1A1FLT3HPGDLMNA | |
| SCHEMBL4676744 | 0.66 | KCNH2 (0.59) | ADRB1ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL3766149 | 0.65 | FLT3 (0.54) | ADRB1ALDH1A1CYP1A2CYP3A4MEN1 |
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 5 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-7501419-B2 | 4-Squarylpiperazine derivatives as antiviral agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-10 | — | — | US | disclosed |
| WO-2007127731-A1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-08 | — | — | WO | disclosed |
| US-20070249624-A1 | 4-Squarylpiperazine Derivatives as Antiviral Agents | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | 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 | ADRB1 3216/4885ALDH1A1 2043/4885CYP1A2 731/4885 |
“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.