Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.42 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9261989 | 0.85 | CES1 (0.42) | GRIA1CACNG8CREBBPBRD4ALDH1A1 | |
| SCHEMBL9260683 | 0.85 | ALDH1A1 (0.34) | RETALDH1A1TSHRLMNAKDR | |
| SCHEMBL9267374 | 0.78 | KDR (0.46) | BRD4ALDH1A1TSHRSMN1; SMN2KDR | |
| SCHEMBL7142836 | 0.72 | MEN1 (0.47) | GRIA1CACNG8CREBBPBRD4RET | |
| SCHEMBL9259415 | 0.69 | GABRA1 (0.40) | GRIA1BRD4 | |
| SCHEMBL7235125 | 0.68 | PDPK1 (0.46) | GRIA1CACNG8CREBBPBRD4RET | |
| SCHEMBL5739203 | 0.67 | BRD4 (0.45) | CREBBPBRD4SMN1; SMN2KDRHRH1 | |
| SCHEMBL11175378 | 0.67 | HTR5A (0.41) | — | |
| Hydrochloric Acid SCHEMBL10369856 | 0.66 | BRD4 (0.44) | CREBBPBRD4SMN1; SMN2KDRHRH1 | |
| SCHEMBL31170855 | 0.65 | CRBN (0.44) | GRIA1CACNG8CREBBPBRD4ALDH1A1 |
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 |