Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 2/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3603678 | 0.90 | ALDH1A1 (0.38) | ALDH1A1KMT2ATSPO | |
| SCHEMBL3599501 | 0.78 | GPR35 (0.38) | GPR35ALDH1A1CCR2CCR9LDHA | |
| SCHEMBL3591125 | 0.77 | KDM4E (0.42) | ALDH1A1POLB | |
| SCHEMBL3609348 | 0.72 | NPC1 (0.40) | GPR35ALDH1A1CCR2CCR9 | |
| SCHEMBL3600547 | 0.72 | KDM4E (0.41) | ALDH1A1POLB | |
| SCHEMBL13115992 | 0.72 | HPGD (0.38) | ALDH1A1KMT2APOLB | |
| SCHEMBL3603676 | 0.70 | MTNR1A (0.40) | ALDH1A1KMT2A | |
| SCHEMBL3604305 | 0.66 | NTSR1 (0.36) | ALDH1A1IDO1POLB | |
| SCHEMBL7222522 | 0.65 | MCL1 (0.57) | GPR35ALDH1A1CCR2CCR9LDHA | |
| SCHEMBL18345112 | 0.65 | CCR2 (0.49) | GPR35ALDH1A1CCR2CCR9TSPO |
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 | GPR35 1339/4885ALDH1A1 662/4885CCR2 6/4885 |
“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.