Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL35092 | 0.92 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL7927952 | 0.90 | CYP3A4 (0.39) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL31379074 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL4255002 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL30770772 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL7934432 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL954340 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL22749145 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL22749132 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL556980 | 0.90 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 |
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-20150231114-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | PFIZER (US) | 2015-08-20 | — | — | 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-20150231114-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | CCR2, CCR5, CXCR3 | TDP1 3193/4885CYP3A4 2490/4885TP53 3623/4885 |
“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.