Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472322 | 0.78 | CYP2D6 (0.54) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690331 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL5749041 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690311 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690327 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690458 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL10591185 | 0.72 | CHRNB2 (0.47) | — | |
| SCHEMBL8863963 | 0.71 | SLC6A12 (0.42) | CYP1A2ALOX15SLC1A2 | |
| SCHEMBL28129029 | 0.65 | DPP4 (0.42) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL532330 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720881-A1 | 11-HYDROXY-5H-PYRROLO[2,1-C][1,4]BENZODIAZEPIN-5-ONE DERIVATIVES AS KEY INTERMEDIATES FOR THE PREPARATION OF C2 SUBSTITUTED PYRROLOBENZODIAZEPINS | Spirogen Limited (GB) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005085251-A1 | 11-HYDROXY-5H-PYRROLO[2,1-C][1,4]BENZODIAZEPIN-5-ONE DERIVATIVES AS KEY INTERMEDIATES FOR THE PREPARATION OF C2 SUBSTITUTED PYRROLOBENZODIAZEPINES | SPIROGEN LIMITED (GB) | 2005-09-15 | — | — | WO | disclosed |