Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11094857 | 0.86 | ALDH1A1 (0.39) | TSHRCASP1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL11093483 | 0.85 | GABRA1 (0.43) | TSHRCASP1SMN1; SMN2KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL11095216 | 0.85 | SMN1; SMN2 (0.50) | TSHRCASP1SMN1; SMN2KDM4EGABRA1 | |
| SCHEMBL8769572 | 0.80 | TSHR (0.45) | TSHRCASP1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL11453246 | 0.78 | SMN1; SMN2 (0.44) | TSHRCASP1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL8607500 | 0.77 | SMN1; SMN2 (0.42) | TSHRCASP1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL5960318 | 0.77 | ALDH1A1 (0.44) | MAPTALDH1A1HPGDHTTMEN1 | |
| SCHEMBL11096506 | 0.76 | ALDH1A1 (0.52) | TSHRCASP1SMN1; SMN2KDM4EGABRA1 | |
| SCHEMBL11093143 | 0.75 | MAPT (0.37) | SMN1; SMN2KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL11092051 | 0.75 | ALDH1A1 (0.46) | CASP1KDM4EGABRA1GABRG2GABRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018100-B1 | SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-01-18 | — | — | EP | disclosed |
| EP-0018100-A2 | Substituted aromatic biologically active compound, a process for its preparation and its use as biocide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-10-29 | — | — | EP | disclosed |