Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946015 | 0.86 | KDM4E (0.42) | KDM4EHTTLMNATSHRNOS3 | |
| SCHEMBL9425200 | 0.82 | CETP (0.42) | CETPKDM4ELMNATSHRPOLB | |
| SCHEMBL9001648 | 0.81 | CETP (0.46) | CETPLMNATSHRNOS3NOS1 | |
| SCHEMBL9425047 | 0.79 | TSHR (0.49) | CYP2C19CETPLMNATSHRCYP1A2 | |
| SCHEMBL9582929 | 0.79 | CETP (0.43) | CETPHTTTSHRPOLBNOS3 | |
| SCHEMBL9582457 | 0.78 | PDK1 (0.43) | CETPLMNATSHRNOS3NOS1 | |
| SCHEMBL9425172 | 0.76 | MAPT (0.45) | CETPHTTTSHRPOLBL3MBTL1 | |
| SCHEMBL9425495 | 0.75 | CETP (0.40) | CETPKDM4EHTTTSHRL3MBTL1 | |
| SCHEMBL9425144 | 0.75 | CETP (0.40) | CETPLMNATSHRNOS3NOS1 | |
| SCHEMBL8945812 | 0.74 | CETP (0.39) | CETPTSHRL3MBTL1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0322582-A2 | 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-07-05 | — | — | EP | disclosed |