Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353370 | 0.82 | ADRB2 (0.52) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL2669157 | 0.82 | ADRB2 (0.52) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL178627 | 0.82 | ADRB2 (0.52) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL20303161 | 0.80 | ADRB2 (0.50) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL10315779 | 0.80 | ADRB2 (0.56) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL11633101 | 0.80 | ADRB2 (0.56) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL10087172 | 0.80 | ADRB2 (0.56) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL6260990 | 0.80 | ADRB2 (0.50) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL20303159 | 0.80 | ADRB2 (0.50) | ADRB2HPGDGAASMN1; SMN2TSHR | |
| SCHEMBL19286213 | 0.79 | SMN1; SMN2 (0.42) | HPGDSMN1; SMN2TDP1LMNAALDH1A1 |
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-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |