Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3606204 | 0.94 | GRIN2B (0.41) | GRIN2BSMN1; SMN2POLBRAB9AALDH1A1 | |
| SCHEMBL3597289 | 0.91 | ALDH1A1 (0.41) | SMN1; SMN2RAB9AALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3605994 | 0.91 | PIM1 (0.42) | GRIN2BRAB9AALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3608180 | 0.91 | HTT (0.45) | SMN1; SMN2RAB9AALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3594707 | 0.91 | NPC1 (0.41) | SMN1; SMN2RAB9AALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3605625 | 0.90 | MGLL (0.38) | SMN1; SMN2POLBALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3589653 | 0.89 | ROCK2 (0.38) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CNR2 | |
| SCHEMBL3605921 | 0.88 | EPHX2 (0.41) | SMN1; SMN2POLBRAB9AALDH1A1NPY5R | |
| SCHEMBL3589635 | 0.86 | NPY5R (0.41) | GRIN2BSMN1; SMN2ALDH1A1HSD17B10MAPK1 | |
| SCHEMBL3596540 | 0.86 | HSD17B10 (0.37) | GRIN2BSMN1; SMN2POLBRAB9AALDH1A1 |
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 3 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 |
| WO-2007115231-A2 | CXCR4 MODULATORS | CHEMOCENTRYX, INC. (US) | 2007-10-11 | — | — | 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-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | GRIN2B 2950/4885SMN1; SMN2 4228/4885POLB 4479/4885 |
“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.