Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11381634 | 0.88 | ALDH1A1 (0.39) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9385939 | 0.84 | ALDH1A1 (0.41) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9534845 | 0.84 | VDR (0.41) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9384498 | 0.83 | ALDH1A1 (0.46) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9654091 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GLAHTR2ASLC6A4TDP1 | |
| SCHEMBL11378856 | 0.82 | ALDH1A1 (0.35) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9652974 | 0.81 | ALDH1A1 (0.38) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL9651024 | 0.81 | HTR2A (0.44) | ALDH1A1GLAADRB3HTR2ASLC6A4 | |
| SCHEMBL7091814 | 0.81 | BRD4 (0.42) | ALDH1A1GLAPDE4DTDP1 | |
| SCHEMBL6074729 | 0.81 | BRD4 (0.42) | ALDH1A1GLAPDE4DTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4289883-A | ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-09-15 | — | — | US | disclosed |