Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.56 |
| ▸ | NOS3 | P29474 | 6/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18398543 | 0.83 | NOS2 (0.53) | NOS2NOS3USP7KDM4ENOS1 | |
| SCHEMBL5259760 | 0.80 | NOS2 (0.52) | NOS2NOS3USP7TLR8KDM4E | |
| SCHEMBL26177037 | 0.79 | NOS2 (0.66) | NOS2NOS3USP7TLR8KDM4E | |
| SCHEMBL24753828 | 0.78 | NOS2 (0.50) | NOS2NOS3USP7TLR8KDM4E | |
| Bromide SCHEMBL28072273 | 0.78 | NOS2 (0.50) | NOS2NOS3USP7TLR8KDM4E | |
| Hydrochloric Acid SCHEMBL28072387 | 0.78 | NOS2 (0.50) | NOS2NOS3USP7TLR8KDM4E | |
| SCHEMBL31214598 | 0.78 | NOS2 (0.38) | NOS2NOS3KDM4ENOS1MEN1 | |
| SCHEMBL9846997 | 0.78 | NOS2 (0.38) | NOS2NOS3USP7KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL9847027 | 0.76 | NOS2 (0.37) | NOS2NOS3KDM4ELMNANOS1 | |
| SCHEMBL23987703 | 0.76 | NOS2 (0.47) | NOS2NOS3USP7KDM4ELMNA |
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-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| EP-1838152-A2 | IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-10-03 | — | — | EP | 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 | NOS2 3365/4885NOS3 2176/4885USP7 3627/4885 |
“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.