Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 4/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | TTK | P33981 | 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 | |
|---|---|---|---|---|
| SCHEMBL28224372 | 0.77 | DAO (0.40) | HRH4HRH3ALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL5655409 | 0.74 | HRH4 (0.37) | HRH4HTR3APNPHRH3 | |
| SCHEMBL6247431 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL28079610 | 0.69 | — | — | |
| SCHEMBL11803536 | 0.68 | HTR6 (0.37) | HRH4HTR3AHTR6PNPHRH3 | |
| SCHEMBL20388056 | 0.68 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL20355954 | 0.67 | — | — | |
| SCHEMBL30586310 | 0.67 | SMN1; SMN2 (0.31) | — | |
| Iodide SCHEMBL632156 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27681884 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999051598-A1 | SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |