Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3604301 | 0.89 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3601868 | 0.89 | BACE1 (0.47) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3598451 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3601361 | 0.87 | KDM4E (0.44) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3600543 | 0.83 | KDM4E (0.46) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3593044 | 0.83 | NTSR1 (0.42) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3600291 | 0.83 | GRIN2B (0.55) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3602467 | 0.83 | KDM4E (0.46) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3597368 | 0.83 | TSHR (0.46) | ALDH1A1KDM4EHSD17B10TSHRHPGD | |
| SCHEMBL3600061 | 0.83 | GRIN2B (0.42) | ALDH1A1KDM4EHSD17B10TSHRHPGD |
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 | ALDH1A1 662/4885KDM4E 4801/4885HSD17B10 3413/4885 |
“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.