Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.50 |
| ▸ | HTR3A | P46098 | 6/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.50 |
| ▸ | HTR3B | O95264 | 4/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17884859 | 0.84 | ADRB1 (0.52) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4929156 | 0.79 | HTR3E (0.66) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL5577210 | 0.77 | NPSR1 (0.34) | HTT | |
| SCHEMBL5577193 | 0.74 | USP2 (0.45) | TP53 | |
| SCHEMBL30080727 | 0.74 | HTR3A (0.64) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL255186 | 0.74 | HTR3A (0.64) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL19385628 | 0.72 | HTR3A (0.62) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4930226 | 0.72 | HTR3A (0.41) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL233944 | 0.71 | HTR3A (0.61) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL21996080 | 0.71 | ADRB1 (0.56) | ADRB1HTR3AHTR3EHTR3BHTR3D |
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-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | ADRB1 1852/4885HTR3A 1634/4885HTR3E 989/4885 |
“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.