Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 18/20 | 0.70 |
| ▸ | TACR2 | P21452 | 17/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3963977 | 0.82 | TACR2 (0.86) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL5734797 | 0.82 | TACR2 (1.00) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL3962728 | 0.82 | TACR2 (0.79) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Hydrochloric Acid SCHEMBL5732533 | 0.81 | TACR2 (0.77) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL5733958 | 0.80 | TACR2 (1.00) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL5733729 | 0.79 | TACR2 (0.81) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL28773315 | 0.79 | TACR3 (0.55) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL3969337 | 0.78 | TACR2 (0.79) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL7003931 | 0.77 | TACR3 (0.53) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL7002820 | 0.76 | TACR2 (0.55) | TACR3TACR2OPRM1KCNH2TRPV4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1594844-A1 | SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2005-11-16 | — | — | EP | claimed |
| WO-2004072045-A1 | SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-26 | — | — | WO | claimed |
| EP-1594844-A1 | SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004072045-A1 | SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-26 | — | — | WO | disclosed |