Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL324927 | 1.00 | TSHR (0.48) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL26667009 | 0.78 | TSHR (0.48) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL1754079 | 0.78 | HDAC8 (0.42) | ALDH1A1GAAMAPTTDP1CA1 | |
| Hydrochloric Acid SCHEMBL3983297 | 0.77 | TSHR (0.47) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL29951501 | 0.77 | CES2 (0.41) | TSHRMAPK1CES2ALDH1A1IDO1 | |
| SCHEMBL7529351 | 0.75 | DHFR (0.34) | — | |
| SCHEMBL62723 | 0.75 | TSHR (0.67) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL7124316 | 0.75 | TSHR (0.45) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL4156680 | 0.74 | TSHR (0.44) | TSHRMAPK1HTR3EHTR3BHTR3A | |
| Benzene SCHEMBL8568955 | 0.73 | TSHR (0.67) | TSHRMAPK1HTR3EHTR3BHTR3A |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |