Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4911209 | 0.86 | ADORA2A (0.31) | — | |
| SCHEMBL4913331 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL5783000 | 0.77 | CTSS (0.36) | CTSSCTSKBRD4 | |
| SCHEMBL8261644 | 0.77 | ADORA2A (0.34) | — | |
| SCHEMBL4769211 | 0.76 | CTSS (0.34) | CTSSCTSK | |
| SCHEMBL4771628 | 0.75 | CTSS (0.34) | CTSSCTSK | |
| SCHEMBL5782099 | 0.74 | CTSS (0.36) | CTSSCTSKBRD4 | |
| SCHEMBL4768012 | 0.73 | CTSS (0.33) | CTSSCTSK | |
| SCHEMBL4764321 | 0.71 | CTSS (0.33) | CTSSCTSK | |
| SCHEMBL4764180 | 0.70 | CTSS (0.36) | CTSSCTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| US-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| US-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| WO-2006078891-A2 | IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-07-27 | — | — | 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-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | GABRR3, GABRA3, GABRR1 | CTSS 4294/4885CTSK 3962/4885BRD4 1592/4885 |
“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.