Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
| ▸ | PRKCI | P41743 | 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 | |
|---|---|---|---|---|
| SCHEMBL8911234 | 1.00 | GABRA1 (0.35) | GABRA1GABRB2POLBCASP1TSHR | |
| SCHEMBL1772134 | 0.90 | GABRA1 (0.41) | GABRA1GABRB2POLBCASP1TSHR | |
| SCHEMBL5548473 | 0.80 | GABRA1 (0.42) | GABRA1GABRB2POLBTSHRIMPDH2 | |
| Ethylene SCHEMBL27977906 | 0.78 | GABRA1 (0.41) | GABRA1GABRB2POLBTSHRIMPDH2 | |
| SCHEMBL31290769 | 0.78 | GABRA1 (0.41) | GABRA1GABRB2POLBCASP1TDP1 | |
| SCHEMBL454406 | 0.78 | GABRA1 (0.41) | GABRA1GABRB2POLBCASP1TDP1 | |
| Hydrochloric Acid SCHEMBL6307100 | 0.76 | GABRA1 (0.39) | GABRA1GABRB2POLBCASP1TDP1 | |
| SCHEMBL21558307 | 0.74 | GABRA1 (0.35) | GABRA1GABRB2POLBTSHRMAPK1 | |
| SCHEMBL1334151 | 0.74 | GABRA1 (0.41) | GABRA1GABRB2POLBTSHRTDP1 | |
| SCHEMBL15358717 | 0.74 | CASP1 (0.39) | POLBCASP1TSHRTDP1MAPK1 |
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-5645763-A | Use of liquid esters as solvents for isocyanates | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1997-07-08 | — | — | US | disclosed |