Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRKDM4EHSD17B10KMT2A | |
| SCHEMBL3605994 | 0.87 | PIM1 (0.42) | ALDH1A1KDM4EHSD17B10KMT2AHTT | |
| SCHEMBL3602556 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4EHSD17B10HPGD | |
| SCHEMBL3597445 | 0.84 | KDM4E (0.45) | ALDH1A1KDM4EHSD17B10HPGDPOLB | |
| SCHEMBL3589635 | 0.84 | NPY5R (0.41) | ALDH1A1TSHRKDM4EHSD17B10HPGD | |
| SCHEMBL3595324 | 0.84 | TSHR (0.42) | ALDH1A1TSHRKDM4EHSD17B10HPGD | |
| SCHEMBL3592317 | 0.83 | KDM4E (0.41) | ALDH1A1TSHRKDM4EHSD17B10HTT | |
| SCHEMBL3608180 | 0.83 | HTT (0.45) | ALDH1A1TSHRKDM4EHSD17B10KMT2A | |
| SCHEMBL3608260 | 0.83 | GRIN2B (0.42) | ALDH1A1TSHRKDM4EHSD17B10POLB | |
| SCHEMBL3589653 | 0.83 | ROCK2 (0.38) | ALDH1A1TSHRKDM4EHSD17B10HPGD |
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 | ALDH1A1 662/4885TSHR 1277/4885KDM4E 4801/4885 |
“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.