Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.44 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL863714 | 0.86 | DYRK3 (0.46) | NPC1KDM4EHSD17B10DYRK3CCNT1 | |
| SCHEMBL864043 | 0.84 | MET (0.43) | NPC1BRD4DYRK3CCNT1CDK9 | |
| SCHEMBL863333 | 0.79 | GUSB (0.43) | BRD4HSD17B10DYRK3CCNT1CDK9 | |
| SCHEMBL2646931 | 0.79 | KDM4E (0.67) | BRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL863987 | 0.73 | MET (0.46) | BRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL16009418 | 0.73 | DYRK3 (0.77) | DYRK3CCNT1CDK9CDK5DYRK1A | |
| SCHEMBL446619 | 0.71 | NPC1 (1.00) | NPC1DYRK3CDK5DYRK1ACDK5R1 | |
| SCHEMBL30587350 | 0.71 | NPC1 (1.00) | NPC1DYRK3CDK5DYRK1ACDK5R1 | |
| SCHEMBL2961538 | 0.71 | DYRK3 (0.56) | NPC1DYRK3CCNT1CDK9CDK5 | |
| SCHEMBL25439912 | 0.70 | NPC1 (0.71) | NPC1BRD4ADORA2AADORA1GLO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865719-B2 | Substituted heterocycles and their use as allosteric modulators of nicotinic and GABAA receptors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-21 | — | — | US | disclosed |
| US-20120077816-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE AS ALLOSTERIC MODULATORS OF NICOTINIC AND GABAA RECEPTORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2012-03-29 | — | — | 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-20120077816-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE AS ALLOSTERIC MODULATORS OF NICOTINIC AND GABAA RECEPTORS | CHRNA7, CHRNA5, CHRNA1 | NPC1 2210/4885BRD4 738/4885ADORA3 127/4885 |
“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.