Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL9260664 | 0.85 | GRIA1 (0.42) | ALDH1A1TSHRKDRLMNAHRH1 | |
| SCHEMBL9261989 | 0.84 | CES1 (0.42) | ALDH1A1TSHRTGM2CDK5CDK5R1 | |
| SCHEMBL9267469 | 0.79 | — | — | |
| SCHEMBL9267374 | 0.77 | KDR (0.46) | ALDH1A1TSHRKDRCDK5CDK5R1 | |
| SCHEMBL9715259 | 0.70 | KMT2A (0.52) | ALDH1A1CDK5CDK5R1LMNACCNB2 | |
| SCHEMBL9259415 | 0.68 | GABRA1 (0.40) | CDK5CDK5R1GSK3BADRA1A | |
| SCHEMBL5739203 | 0.66 | BRD4 (0.45) | KDRCDK5CDK5R1AHRPDK2 | |
| Hydrochloric Acid SCHEMBL10369856 | 0.65 | BRD4 (0.44) | KDRCDK5CDK5R1AHRPDK2 | |
| SCHEMBL9050196 | 0.64 | MMP12 (0.39) | ALDH1A1CDK5CDK5R1AHRPDK2 | |
| SCHEMBL5024271 | 0.64 | — | — |
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-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0519307-A2 | Tetracyclic Imidazodiazepines | F. HOFFMANN-LA ROCHE AG (CH) | 1992-12-23 | — | — | EP | disclosed |