Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.32 |
| ▸ | TACR3 | P29371 | 7/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4671813 | 0.95 | TACR1 (0.32) | TACR1TACR3GRM2GPBAR1USP2 | |
| SCHEMBL4706174 | 0.92 | ALDH1A1 (0.33) | TACR1TACR3GRM2MAPTEPAS1 | |
| SCHEMBL4707994 | 0.91 | TACR1 (0.33) | TACR1TACR3GRM2GPBAR1USP2 | |
| SCHEMBL4639351 | 0.90 | USP2 (0.39) | TACR1TACR3GPBAR1USP2CYP2D6 | |
| SCHEMBL4708206 | 0.87 | TACR1 (0.35) | TACR1TACR3GRM2GPBAR1TP53 | |
| SCHEMBL4708316 | 0.87 | TACR1 (0.33) | TACR1TACR3GRM2TP53MAPT | |
| SCHEMBL4705619 | 0.86 | TACR1 (0.36) | TACR1TACR3GRM2GPBAR1TP53 | |
| SCHEMBL4709706 | 0.84 | ALDH1A1 (0.42) | TACR1GRM2GPBAR1ALDH1A1 | |
| SCHEMBL4708775 | 0.84 | TACR1 (0.39) | TACR1TACR3GRM2GPBAR1TP53 | |
| SCHEMBL4707466 | 0.84 | TACR1 (0.32) | TACR1TACR3MAPTEPAS1ALDH1A1 |
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-1501809-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | claimed |
| WO-2003091226-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | claimed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| EP-1598358-A1 | compounds comprising 3,4-methylendioxythiophene units | H.C. Starck GmbH (DE) | 2005-11-23 | — | — | EP | disclosed |