Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | TACR3 | P29371 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708316 | 0.95 | TACR1 (0.33) | ALDH1A1TDP1L3MBTL1TACR1KCNH2 | |
| SCHEMBL4708336 | 0.92 | TACR1 (0.32) | ALDH1A1TACR1MAPTEPAS1SMN1; SMN2 | |
| SCHEMBL4707994 | 0.91 | TACR1 (0.33) | TACR1MAPTGRM2TACR3 | |
| SCHEMBL4707466 | 0.91 | TACR1 (0.32) | ALDH1A1TDP1L3MBTL1TACR1KCNH2 | |
| SCHEMBL4705752 | 0.88 | ALDH1A1 (0.33) | ALDH1A1TDP1L3MBTL1TACR1KCNH2 | |
| SCHEMBL4708206 | 0.88 | TACR1 (0.35) | TACR1MAPTEPAS1GALR3CYP3A4 | |
| SCHEMBL4671813 | 0.87 | TACR1 (0.32) | ALDH1A1TACR1MAPTEPAS1SMN1; SMN2 | |
| SCHEMBL4705619 | 0.86 | TACR1 (0.36) | ALDH1A1TACR1MAPTEPAS1KMT2A | |
| SCHEMBL4708031 | 0.85 | NTRK1 (0.34) | ALDH1A1TACR1KMT2AIDO1TDO2 | |
| SCHEMBL4637892 | 0.85 | TACR1 (0.34) | ALDH1A1TDP1L3MBTL1TACR1KCNH2 |
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 3 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 |