Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSV | O60911 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSH | P09668 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | CTSZ | Q9UBR2 | 1/20 | 0.34 |
| ▸ | KLK4 | Q9Y5K2 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 5/20 | 0.33 |
| ▸ | PRKCA | P17252 | 2/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL4426575 | 0.90 | CTSS (0.36) | CTSSCTSKTRPV1PDE10AALDH1A2 | |
| SCHEMBL4527001 | 0.89 | SMN1; SMN2 (0.36) | ALDH1A1CDK1PDE4APDE4BPDE4C | |
| SCHEMBL4977191 | 0.88 | CTSS (0.39) | CTSSCTSKTRPV1ALDH1A1CTSL | |
| SCHEMBL4981916 | 0.88 | DRD1 (0.40) | ALDH1A1CDK1DDR1PDE4APDE4B | |
| SCHEMBL4428884 | 0.83 | CTSS (0.38) | CTSSCTSKTRPV1ALDH1A1CTSL | |
| SCHEMBL4531547 | 0.82 | NPC1 (0.35) | CTSSALDH1A1CTSLCTSCCTSZ | |
| SCHEMBL4531198 | 0.82 | CNR1 (0.43) | ALDH1A1DDR1NPC1KDM4E | |
| SCHEMBL4514455 | 0.80 | CNR1 (0.39) | ALDH1A1DDR1PDE4APDE4BPDE4C | |
| SCHEMBL4430107 | 0.78 | CTSS (0.37) | CTSSCTSKTRPV1PDE10AALDH1A2 | |
| SCHEMBL4520977 | 0.78 | HKDC1 (0.37) | ALDH1A1PDE10APDE4APDE4BPDE4C |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | claimed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | claimed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | claimed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | 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-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | PIGS, GPR174, GPR17 | CTSS 1447/4885CTSK 1812/4885TRPV1 159/4885 |
“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.