Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL3597289 | 0.91 | ALDH1A1 (0.41) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3592317 | 0.91 | KDM4E (0.41) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3596540 | 0.90 | HSD17B10 (0.37) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3608260 | 0.89 | GRIN2B (0.42) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3608180 | 0.89 | HTT (0.45) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3594707 | 0.89 | NPC1 (0.41) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3605625 | 0.88 | MGLL (0.38) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3605921 | 0.86 | EPHX2 (0.41) | ALDH1A1NPY5RKDM4EHTTSMN1; SMN2 | |
| SCHEMBL3605994 | 0.85 | PIM1 (0.42) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E | |
| SCHEMBL3589635 | 0.84 | NPY5R (0.41) | HSD17B10ALDH1A1MAPK1NPY5RKDM4E |
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 | ROCK2 850/4885HSD17B10 3413/4885ALDH1A1 662/4885 |
“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.