Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21173402 | 0.96 | TSHR (0.45) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18052481 | 0.92 | TSHR (0.41) | TSHRKCNK3MEN1KMT2ACNR1 | |
| SCHEMBL6758227 | 0.91 | ALDH1A1 (0.39) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13358366 | 0.91 | RELA (0.40) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13372114 | 0.91 | RELA (0.40) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13358383 | 0.91 | RELA (0.40) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14163856 | 0.89 | CYP2D6 (0.44) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13948905 | 0.88 | CYP3A4 (0.35) | TSHRCYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13358099 | 0.87 | RELA (0.37) | CYP1A2CNR1CNR2 | |
| SCHEMBL13358347 | 0.87 | RELA (0.37) | CYP1A2CNR1CNR2 |
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-20190221375-A1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE | FUJIFILM CORPORATION (JP) | 2019-07-18 | — | — | US | disclosed |