Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 4/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3914999 | 0.88 | HRH3 (0.44) | TSHRSMN1; SMN2P2RX7HRH3TAOK1 | |
| SCHEMBL4037860 | 0.88 | TSHR (0.38) | TSHRSMN1; SMN2P2RX7HRH3EPHX2 | |
| SCHEMBL4035051 | 0.83 | CCR3 (0.35) | TSHRSMN1; SMN2P2RX7HRH3EPHX2 | |
| SCHEMBL4039483 | 0.79 | CCR5 (0.34) | CCR5 | |
| SCHEMBL4035052 | 0.78 | CACNA1G (0.40) | CCR5 | |
| SCHEMBL4035366 | 0.76 | HRH3 (0.44) | TSHRSMN1; SMN2HRH3EPHX2 | |
| Benzamide SCHEMBL4042439 | 0.75 | CCR5 (0.37) | CCR5 | |
| SCHEMBL3920466 | 0.74 | POLB (0.42) | SMN1; SMN2CCR5 | |
| SCHEMBL3914971 | 0.73 | CCR5 (0.35) | CCR5 | |
| SCHEMBL4035704 | 0.72 | NPFFR1 (0.38) | TSHRSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |
| EP-1730144-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | claimed |
| WO-2005095398-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | claimed |
| EP-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | disclosed |
| EP-1730144-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095398-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |