Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9545994 | 0.88 | TSHR (0.45) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL1132293 | 0.85 | TSHR (0.46) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL483315 | 0.85 | TSHR (0.39) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL23494037 | 0.84 | TSHR (0.44) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL971960 | 0.83 | TSHR (0.41) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL6046953 | 0.83 | TSHR (0.41) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL2129127 | 0.81 | TSHR (0.51) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL9326835 | 0.81 | TSHR (0.40) | TSHRHPGDCTSKTHRBALDH1A1 | |
| SCHEMBL28880877 | 0.80 | ALDH1A1 (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL18255850 | 0.80 | TSHR (0.54) | TSHRHPGDCTSKTHRBALDH1A1 |
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-4133813-A | Cyclic nitrile carbonate-containing compounds | ATLANTIC RICHFIELD COMPANY (US) | 1979-01-09 | — | — | US | disclosed |