Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 1/20 | 0.49 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4709776 | 0.91 | RORB (0.45) | RORBVNN1ALDH1A1L3MBTL1P2RX7 | |
| SCHEMBL4707219 | 0.91 | RORB (0.48) | RORBALDH1A1IDO1TDO2 | |
| SCHEMBL4706229 | 0.89 | IDH1 (0.44) | RORBVNN1SMN1; SMN2IDH1 | |
| SCHEMBL4705528 | 0.86 | RORB (0.43) | RORBVNN1ALDH1A1L3MBTL1P2RX7 | |
| SCHEMBL4706981 | 0.86 | IDH1 (0.42) | RORBVNN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27538912 | 0.86 | RORB (0.44) | RORBVNN1L3MBTL1POLBIDH1 | |
| SCHEMBL4707334 | 0.84 | RORB (0.42) | RORBVNN1IDH1 | |
| SCHEMBL4708736 | 0.83 | RORB (0.49) | RORBVNN1P2RX7CYP2C9CYP3A4 | |
| SCHEMBL4708752 | 0.83 | RORB (0.43) | RORBP2RX7SMN1; SMN2IDH1 | |
| SCHEMBL4707224 | 0.82 | RORB (0.44) | RORBP2RX7SMN1; SMN2IDO1TDO2 |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |