Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 4/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | KRAS | P01116 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.33 |
| ▸ | MICA | Q29983 | 1/20 | 0.33 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL15211633 | 1.00 | SOS1 (0.39) | SOS1SCN9AKRASTACR1GPBAR1 | |
| SCHEMBL19354872 | 1.00 | SOS1 (0.39) | SOS1SCN9AKRASTACR1GPBAR1 | |
| SCHEMBL2365906 | 0.88 | MAPT (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| SCHEMBL1432906 | 0.88 | MAPT (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| SCHEMBL3154962 | 0.88 | MAPT (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL2487638 | 0.86 | IDO1 (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL2512455 | 0.86 | IDO1 (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL3138452 | 0.86 | IDO1 (0.40) | SOS1KRASTACR1GPBAR1KCNH2 | |
| SCHEMBL21346339 | 0.84 | SOS1 (0.39) | SOS1SCN9AKRASTACR1GPBAR1 | |
| SCHEMBL18252813 | 0.84 | SOS1 (0.39) | SOS1SCN9AKRASTACR1GPBAR1 |
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-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 |