Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KRAS | P01116 | 2/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.34 |
| ▸ | MICA | Q29983 | 1/20 | 0.34 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 5/20 | 0.33 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRN | P28799 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755186 | 1.00 | RAPGEF4 (0.41) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL15211303 | 1.00 | RAPGEF4 (0.41) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL3154962 | 0.87 | MAPT (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL1432906 | 0.87 | MAPT (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL2365906 | 0.87 | MAPT (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| Hydrochloric Acid SCHEMBL2512455 | 0.85 | IDO1 (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| Hydrochloric Acid SCHEMBL3138452 | 0.85 | IDO1 (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| Hydrochloric Acid SCHEMBL2487638 | 0.85 | IDO1 (0.40) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL15215514 | 0.81 | RAPGEF4 (0.41) | RAPGEF4HTR2ASLC6A4KCNH2KRAS | |
| SCHEMBL15215511 | 0.81 | HTR2A (0.35) | HTR2ASLC6A4KCNH2KRASSOS1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036236-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS (DK) | 2017-06-07 | — | — | EP | disclosed |
| US-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2016-07-21 | — | — | US | disclosed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| EP-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | 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-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | TACR2, TACR1, HRH4 | RAPGEF4 3143/4885HTR2A 120/4885SLC6A4 496/4885 |
“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.