Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6408449 | 0.99 | CCR5 (0.41) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| SCHEMBL6410779 | 0.93 | KMT2A (0.42) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| SCHEMBL6415166 | 0.93 | ALDH1A1 (0.40) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6410773 | 0.93 | MEN1 (0.41) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| SCHEMBL6410561 | 0.92 | ALDH1A1 (0.41) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6410554 | 0.91 | SIGMAR1 (0.42) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6411300 | 0.91 | CCR5 (0.41) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL5249665 | 0.91 | CCR5 (0.49) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6408497 | 0.91 | CCR5 (0.42) | CCR5ALDH1A1SIGMAR1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6412841 | 0.90 | CCR5 (0.42) | CCR5ALDH1A1SIGMAR1DRD2HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050075326-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | VIROCHEM PHARMA INC (CA) | 2005-04-07 | — | — | 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-20050075326-A1 | Spiro compounds and methods for the modulation of chemokine receptor activity | CXCR1, CXCR4, CXCR2 | CCR5 4/4885ALDH1A1 869/4885SIGMAR1 277/4885 |
“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.