Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.51 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13990855 | 0.98 | HRH4 (0.54) | HRH4NOS3NOS1NOS2MAPK14 | |
| SCHEMBL18888320 | 0.98 | HRH4 (0.54) | HRH4NOS3NOS1NOS2MAPK14 | |
| SCHEMBL12503866 | 0.86 | HRH4 (0.56) | HRH4NOS3NOS1NOS2DRD2 | |
| SCHEMBL15621623 | 0.86 | HRH4 (0.49) | HRH4MAPK14HCRTR1HCRTR2PIK3CA | |
| SCHEMBL11919149 | 0.85 | ADRB1 (0.55) | HRH4NOS3NOS1NOS2OPRM1 | |
| SCHEMBL12651287 | 0.85 | POLB (0.44) | HRH4NOS3NOS1NOS2MAPK14 | |
| SCHEMBL8197483 | 0.85 | PIK3CA (0.59) | NOS3NOS1NOS2HCRTR1HCRTR2 | |
| SCHEMBL22792706 | 0.85 | DRD2 (0.47) | HRH4NOS3NOS1NOS2PIK3CA | |
| Hydrochloric Acid SCHEMBL31061226 | 0.83 | ADRB1 (0.54) | HRH4NOS3NOS1NOS2OPRM1 | |
| SCHEMBL18330480 | 0.83 | OGA (0.46) | HRH4NOS3NOS1NOS2HCRTR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694330-B1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-04-19 | — | — | EP | disclosed |
| US-11332463-B2 | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2022-05-17 | — | — | US | disclosed |
| US-20210070745-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-11 | — | — | US | disclosed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2018-07-05 | — | — | US | disclosed |
| US-9670157-B2 | Benzylamine derivatives | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2017-06-06 | — | — | US | disclosed |
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| US-20080312435-A1 | Imine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-18 | — | — | 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 (4 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-20080312435-A1 | Imine Compound | CNR1, CNR2, HRH4 | HRH4 3/4885NOS3 1008/4885NOS1 1883/4885 |
| US-11332463-B2 | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | CHRNA7, CHRNA5, CHRNA6 | HRH4 1005/4885NOS3 2362/4885NOS1 2146/4885 |
| US-20210070745-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA6 | HRH4 1005/4885NOS3 2362/4885NOS1 2146/4885 |
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | HRH4 3580/4885NOS3 631/4885NOS1 638/4885 |
“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.