Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708362 | 0.93 | ALDH1A1 (0.56) | SMN1; SMN2PTGDR2TP53ALDH1A1CYP19A1 | |
| SCHEMBL4638473 | 0.82 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1CYP19A1AKR1C3AKR1C2 | |
| SCHEMBL4707735 | 0.82 | TACR1 (0.52) | TP53ALDH1A1CYP19A1GAA | |
| SCHEMBL4707976 | 0.82 | CYP19A1 (0.57) | SMN1; SMN2KDM4EALDH1A1CYP19A1MAPT | |
| SCHEMBL4706776 | 0.81 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1CYP19A1AKR1C3AKR1C2 | |
| SCHEMBL4706714 | 0.81 | TACR1 (0.48) | ALDH1A1CYP19A1GAA | |
| SCHEMBL4637752 | 0.80 | CYP19A1 (0.74) | SMN1; SMN2TP53ALDH1A1CYP19A1MAPT | |
| SCHEMBL4706967 | 0.79 | POLB (0.50) | ALDH1A1GAA | |
| SCHEMBL4707843 | 0.78 | EPHX2 (0.48) | ALDH1A1GAA | |
| SCHEMBL4706773 | 0.78 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1CYP19A1AKR1C3AKR1C2 |
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 |