Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 8/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL19532870 | 0.85 | CA2 (0.40) | TSHRSLC22A12NOTUMARPDK1 | |
| SCHEMBL6804271 | 0.81 | GABRA1 (0.40) | TSHRSLC22A12NOTUMARPDK1 | |
| SCHEMBL151808 | 0.80 | TSHR (0.46) | TSHRSLC22A12ARMAP2K1CYP1A2 | |
| SCHEMBL2003310 | 0.79 | AR (0.46) | SLC22A12ARPGR | |
| SCHEMBL1533157 | 0.75 | TSHR (0.46) | TSHRNOTUMLRRK2MAP2K1CYP1A2 | |
| SCHEMBL23886265 | 0.74 | HSD11B1 (0.37) | — | |
| SCHEMBL30018006 | 0.74 | HSD11B1 (0.37) | — | |
| SCHEMBL30018336 | 0.72 | KIF11 (0.45) | TSHRCYP1A2CYP3A4PDK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29168009 | 0.72 | HTR2C (0.37) | — | |
| SCHEMBL23886233 | 0.72 | KIF11 (0.45) | TSHRCYP1A2CYP3A4PDK2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |