Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 4/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | MC1R | Q01726 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4719992 | 0.80 | NUDT1 (0.53) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL19012922 | 0.79 | PKM (0.55) | SLC40A1RAB9AHSD17B10 | |
| SCHEMBL13970740 | 0.79 | NUDT1 (0.47) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL4773954 | 0.76 | NUDT1 (0.59) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL6948805 | 0.75 | PKM (0.57) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL18661287 | 0.74 | CHRM2 (0.51) | DRD4SLC40A1HPSETP53ALDH1A1 | |
| SCHEMBL11360890 | 0.74 | PKM (0.56) | SLC40A1MC1RRAB9AHSD17B10 | |
| SCHEMBL21101319 | 0.74 | CXCR4 (0.48) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL5385517 | 0.73 | NUDT1 (0.49) | NUDT1METAP2METAP1PDE5ATP53 | |
| SCHEMBL4718043 | 0.73 | CYP2C9 (0.45) | NUDT1CYP2C9NOS1NOS2DRD4 |
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-20220409589-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2022-12-29 | — | — | 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-20220409589-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | CCR5, CXCR4, CXCR3 | NUDT1 1600/4885CYP2C9 3083/4885NOS1 2399/4885 |
“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.