Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.36 |
| ▸ | CNR1 | P21554 | 6/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15727926 | 0.83 | CNR2 (0.36) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL25018313 | 0.79 | CNR2 (0.34) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL17469583 | 0.78 | SOAT1 (0.46) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL11884040 | 0.77 | CNR2 (0.38) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL10039110 | 0.75 | LMNA (0.33) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL22903920 | 0.75 | — | — | |
| SCHEMBL19867559 | 0.74 | — | — | |
| SCHEMBL14144187 | 0.74 | LMNA (0.34) | CNR2CNR1PPARGPPARDPPARA | |
| SCHEMBL13068893 | 0.72 | CNR2 (0.33) | CNR2CNR1PPARGPPARDPPARA | |
| Acetoacetic Acid SCHEMBL7300726 | 0.72 | KDM4E (0.42) | CNR2CNR1PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2637656-B1 | N-Piperidinone-indane carboxamides as CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2012064911-A1 | PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |