Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4639498 | 0.83 | ALDH1A1 (0.44) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL6071885 | 0.82 | ALDH1A1 (0.45) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL5797576 | 0.81 | HPGD (0.62) | ALDH1A1GAATP53SMN1; SMN2CYP1A2 | |
| SCHEMBL4637929 | 0.81 | HPGD (0.45) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL5797506 | 0.80 | AKR1C3 (0.45) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL5797411 | 0.80 | CYP2C9 (0.42) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL4705941 | 0.77 | TP53 (0.50) | ALDH1A1GAATP53SMN1; SMN2CYP1A2 | |
| SCHEMBL5796504 | 0.77 | ALDH1A1 (0.44) | ALDH1A1GAATP53SMN1; SMN2USP2 | |
| SCHEMBL4638473 | 0.77 | ALDH1A1 (0.65) | ALDH1A1GAASMN1; SMN2HPGDAKR1C3 | |
| SCHEMBL5795912 | 0.76 | CYP2D6 (0.39) | ALDH1A1GAATP53SMN1; SMN2USP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | claimed |
| EP-1638944-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2005000821-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-01-06 | — | — | WO | disclosed |