Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 13/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3589774 | 0.82 | GRIN2B (0.53) | GRIN2BGRIN1CYP2C9KCNH2CYP2C19 | |
| SCHEMBL1018400 | 0.74 | ALDH1A1 (0.47) | HTTNPSR1KCNH2CYP2C19ALDH1A1 | |
| SCHEMBL3604340 | 0.74 | KDM4E (0.43) | GRIN2BNPSR1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1018217 | 0.73 | ALDH1A1 (0.46) | HTTNPSR1KCNH2CYP2C19ALDH1A1 | |
| SCHEMBL3607170 | 0.73 | KDM4E (0.51) | GRIN2BNPSR1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1015085 | 0.72 | ALDH1A1 (0.47) | HTTNPSR1KCNH2ALDH1A1MAPK1 | |
| SCHEMBL3595316 | 0.72 | NPC1 (0.44) | GRIN2BNPSR1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3770022 | 0.72 | LMNA (0.55) | HTTCYP2C9CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL3591928 | 0.71 | GRIN2B (0.46) | GRIN2BNPSR1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3602467 | 0.71 | KDM4E (0.46) | GRIN2BNPSR1CYP2C9CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | 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-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | GRIN2B 2950/4885HTT 1553/4885NPSR1 2297/4885 |
“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.