Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6982805 | 0.90 | NR1H2 (0.58) | NR1H2NR1H3AOC3CRHBPCRHR2 | |
| SCHEMBL10786006 | 0.90 | CRHBP (0.57) | PYCR1DAOTAAR1NR1H2NR1H3 | |
| SCHEMBL4054714 | 0.86 | CYP2A6 (0.48) | ESR1ESR2PYCR1DAOCRHBP | |
| SCHEMBL10786126 | 0.81 | PPARA (0.53) | ESR1ESR2PYCR1DAOTAAR1 | |
| SCHEMBL4402952 | 0.79 | CYP2C19 (0.52) | PYCR1NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL15079442 | 0.79 | CYP2C19 (0.52) | PYCR1NR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL3191532 | 0.78 | PYCR1 (0.67) | ESR1ESR2PYCR1DAOTAAR1 | |
| SCHEMBL8289786 | 0.78 | HRH3 (0.64) | ESR1ESR2PYCR1DAOTAAR1 | |
| SCHEMBL30093198 | 0.78 | PYCR1 (0.67) | ESR1ESR2PYCR1DAOTAAR1 | |
| SCHEMBL9474025 | 0.78 | PPARA (0.51) | PYCR1DAOCRHBPCRHR2PPARA |
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-11517565-B2 | Bis-amines, compositions, and uses related to CXCR4 inhibition | EMORY UNIVERSITY (US) | 2022-12-06 | — | — | 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-11517565-B2 | Bis-amines, compositions, and uses related to CXCR4 inhibition | CXCR4, CXCL12, CXCR2 | ESR1 119/4885ESR2 206/4885PYCR1 2631/4885 |
“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.