Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.58 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.58 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.50 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1427755 | 0.90 | KDM1A (0.71) | KDM1AEHMT2RCOR1CXCR4CYP1A2 | |
| SCHEMBL1428484 | 0.86 | KDM1A (0.66) | KDM1AEHMT2RCOR1CXCR4CYP1A2 | |
| SCHEMBL11861178 | 0.82 | POLB (0.71) | POLBTOP2ATRIM58GAACACNA2D1 | |
| SCHEMBL9911796 | 0.80 | EHMT2 (0.66) | KDM1AEHMT2RCOR1 | |
| SCHEMBL1427795 | 0.79 | EHMT2 (0.67) | KDM1AEHMT2RCOR1 | |
| SCHEMBL9912722 | 0.78 | EHMT2 (0.63) | KDM1AEHMT2RCOR1 | |
| SCHEMBL1430305 | 0.78 | EHMT2 (0.63) | KDM1AEHMT2RCOR1 | |
| SCHEMBL8890767 | 0.78 | POLB (0.61) | POLBTOP2ATRIM58GAACACNA2D1 | |
| SCHEMBL9911797 | 0.77 | EHMT2 (0.64) | KDM1AEHMT2RCOR1 | |
| SCHEMBL1427881 | 0.77 | EHMT2 (0.61) | KDM1AEHMT2RCOR1 |
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-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 |
| 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 | KDM1A 4804/4885EHMT2 4669/4885RCOR1 3069/4885 |
“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.