Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18754397 | 0.75 | HTT (0.58) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL22275506 | 0.74 | DRD2 (0.35) | ALDH1A1KDM4EATP4AATP4BPDE10A | |
| SCHEMBL16506289 | 0.72 | HTT (0.54) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL859998 | 0.71 | KDM4E (0.65) | HTTALDH1A1KDM4EHPGDGAA | |
| SCHEMBL4772682 | 0.70 | KMT2A (0.57) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL7829888 | 0.70 | HTT (0.53) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL22275564 | 0.69 | KDM4E (0.37) | HTTALDH1A1KDM4EPKMLMNA | |
| SCHEMBL21849002 | 0.69 | HTT (0.51) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL13833739 | 0.69 | HTT (0.56) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL21863678 | 0.69 | HTT (0.51) | HTTALDH1A1KDM4EPOLBCYP1A2 |
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-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-07-30 | — | — | 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-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | CXCR4, CXCL12, CXCR1 | HTT 1844/4885ALDH1A1 1506/4885KDM4E 4466/4885 |
“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.