Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM6B | O15054 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.48 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.48 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTPRA | P18433 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2033689 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM6BSRD5A2PPARGPPARD | |
| SCHEMBL15391739 | 0.85 | MDM2 (0.60) | ALDH1A1SRD5A2PPARGPPARDPPARA | |
| SCHEMBL57558 | 0.84 | CYP1A2 (0.64) | KDM6BMDM2CYP1A2PTPRAALPI | |
| SCHEMBL8953468 | 0.84 | CYP1A2 (0.64) | KDM6BMDM2CYP1A2PTPRAALPI | |
| SCHEMBL180366 | 0.84 | CYP1A2 (0.64) | KDM6BMDM2CYP1A2PTPRAALPI | |
| SCHEMBL197252 | 0.84 | CYP1A2 (0.64) | KDM6BMDM2CYP1A2PTPRAALPI | |
| SCHEMBL10891346 | 0.84 | KDM6B (0.67) | KDM6BCYP1A2PTPRALMNAALPI | |
| SCHEMBL11882593 | 0.83 | CYP1A2 (0.70) | ALDH1A1SRD5A2PPARGPPARDPPARA | |
| SCHEMBL6243190 | 0.82 | KDM6B (0.56) | ALDH1A1KDM6BSRD5A2L3MBTL1TDP1 | |
| SCHEMBL11827641 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SRD5A2PPARGPPARDPPARA |
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-20190330618-A1 | ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES | NUEVOLUTION AS (DK) | 2019-10-31 | — | — | US | disclosed |
| US-8883720-B2 | Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity | POLYPHOR AG (CH) | 2014-11-11 | — | — | US | disclosed |
| US-20110312879-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2011-12-22 | — | — | US | disclosed |
| WO-2010060479-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-06-03 | — | — | 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-20110312879-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | CXCL12, CXCR4, CXCR1 | ALDH1A1 2448/4885KDM6B 4503/4885SRD5A2 4249/4885 |
“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.