Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706202 | 0.87 | KDM4E (0.61) | KDM4ETSHRESR1MAPTCHRNA7 | |
| SCHEMBL9706141 | 0.86 | KDM4E (0.73) | KDM4ETSHRESR1MAPTCHRNA7 | |
| SCHEMBL1427799 | 0.85 | CHRNB2 (0.65) | KDM4EESR1MAPTAPPLMNA | |
| SCHEMBL7455570 | 0.84 | APP (0.60) | TSHRAPPCHRNB2CHRNA4 | |
| SCHEMBL9911816 | 0.83 | APP (0.55) | TSHRKMT2AAPPCHRNB2CHRNA4 | |
| SCHEMBL7863703 | 0.81 | KDM4E (0.67) | KDM4ETSHRESR1MAPTCHRNA7 | |
| SCHEMBL7022072 | 0.81 | FAAH (0.56) | TSHRKMT2AAPPCYP1A2CYP2D6 | |
| SCHEMBL14862613 | 0.81 | APP (0.54) | KDM4ETSHRMAPTAPPLMNA | |
| SCHEMBL10660855 | 0.80 | TSHR (0.58) | TSHRAPPCYP2D6LTA4H | |
| SCHEMBL259394 | 0.80 | KDM4E (0.65) | KDM4ETSHRESR1MAPTCHRNA7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-8193203-B2 | Bicyclic compounds having activity at the CXCR4 receptor | ALLERGAN, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| EP-2300456-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | Allergan, Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | 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-20090312305-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | CXCR4, CXCR2, CXCL12 | KDM4E 4693/4885TSHR 955/4885ESR1 180/4885 |
“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.