Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.52 |
| ▸ | USP2 | O75604 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | RHOA | P61586 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5011016 | 1.00 | TACR1 (0.52) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012567 | 0.96 | TACR1 (0.50) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012565 | 0.96 | TACR1 (0.50) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012022 | 0.94 | USP2 (0.49) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012024 | 0.94 | USP2 (0.49) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5014308 | 0.90 | USP2 (0.48) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012086 | 0.90 | USP2 (0.48) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012105 | 0.89 | USP2 (0.48) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5012108 | 0.89 | USP2 (0.48) | TACR1USP2CYP3A4TSHRHSD17B10 | |
| SCHEMBL5010933 | 0.88 | USP2 (0.47) | TACR1USP2CYP3A4TSHRHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390372-B1 | 1-OXA-3,9-DIAZA-SPIRO'5,5]UNDECAN-2-ONES DERIVATIVES AND ITS USE AS ANTAGONIST OF THE NEURIKININ RECEPTOR | HOFFMANN LA ROCHE (CH) | 2008-07-16 | — | — | EP | claimed |