Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL11656523 | 0.76 | ALDH1A1 (0.39) | TACR1ALDH1A1TSHR | |
| SCHEMBL8286105 | 0.76 | SLC6A4 (0.43) | TACR1ALDH1A1TSHRNOS2 | |
| SCHEMBL18793296 | 0.76 | SLC6A2 (0.50) | — | |
| SCHEMBL3924798 | 0.75 | TACR1 (0.44) | TACR1CYP1A2CYP2D6CYP2C19NOS1 | |
| SCHEMBL2283129 | 0.75 | TACR1 (0.35) | TACR1ALDH1A1NOS1NOS2 | |
| SCHEMBL31435832 | 0.74 | TACR1 (0.40) | TACR1SLC7A5ALDH1A1NOS1NOS2 | |
| SCHEMBL28562430 | 0.74 | TACR1 (0.38) | TACR1ALDH1A1TSHRNOS2 | |
| SCHEMBL28562428 | 0.74 | TACR1 (0.38) | TACR1ALDH1A1TSHRNOS2 | |
| Hydrochloric Acid SCHEMBL4929635 | 0.74 | SLC6A4 (0.42) | TACR1ALDH1A1TSHRNOS2 | |
| SCHEMBL13206662 | 0.73 | TACR1 (0.37) | TACR1ALDH1A1TSHRNOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2311846-A1 | CHIRAL IRIDIUM AQUA COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXY COMPOUND USING THE SAME | Sumitomo Chemical Company, Limited (JP) | 2011-04-20 | — | — | EP | disclosed |