Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 3/20 | 0.36 |
| ▸ | S100A4 | P26447 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4390254 | 0.81 | TSHR (0.42) | TSHRLMNAALDH1A1TDP1HSD17B10 | |
| SCHEMBL2298630 | 0.79 | TSHR (0.39) | TSHRLMNAALDH1A1TDP1HSD17B10 | |
| SCHEMBL10914346 | 0.79 | TSHR (0.39) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL10914343 | 0.79 | TSHR (0.39) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL5742335 | 0.76 | LMNA (0.40) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL146835 | 0.75 | ALDH1A1 (0.47) | TSHRLMNAALDH1A1HIF1ATDP1 | |
| SCHEMBL1473759 | 0.75 | ALDH1A1 (0.47) | TSHRLMNAALDH1A1TDP1HSD17B10 | |
| SCHEMBL16974738 | 0.74 | TSHR (0.38) | TSHRLMNAALDH1A1HIF1ATDP1 | |
| SCHEMBL26325 | 0.72 | TSHR (0.48) | TSHRLMNAALDH1A1HIF1ATDP1 | |
| SCHEMBL5486291 | 0.72 | ALDH1A1 (0.39) | LMNAALDH1A1CES1TP53HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |