Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6146843 | 0.90 | GBA1 (0.53) | GBA1HRH3HRH4SLC6A4HTR3A | |
| SCHEMBL8937931 | 0.90 | — | — | |
| SCHEMBL11384661 | 0.84 | HTR3A (0.50) | GBA1HRH3HRH4HTR3ADRD2 | |
| Methyl Alcohol SCHEMBL9719610 | 0.84 | MAOA (0.36) | GBA1HRH3HRH4HTR3ADRD2 | |
| SCHEMBL13645699 | 0.78 | DRD2 (0.35) | DRD2DRD4DRD3MAOAALOX5 | |
| SCHEMBL28338642 | 0.78 | HRH4 (0.36) | HRH3HRH4DRD2DRD4DRD3 | |
| SCHEMBL5512343 | 0.72 | POLB (0.50) | HRH3 | |
| SCHEMBL9769189 | 0.69 | DAO (0.42) | HRH3SLC6A4DRD2DRD4DRD3 | |
| SCHEMBL10640654 | 0.68 | MEN1 (0.35) | DRD2DRD4DRD3MAOAALOX5 | |
| SCHEMBL13790886 | 0.67 | MAOA (0.34) | DRD2DRD4DRD3MAOAALOX5 |
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-1446401-A4 | C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL MYERS SQUIBB CO (US) | 2006-04-12 | — | — | EP | disclosed |
| EP-1446401-A2 | C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES | Bristol-Myers Squibb Company (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003042172-A2 | C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-05-22 | — | — | WO | disclosed |