Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL11090486 | 0.89 | EPHX1 (0.60) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| SCHEMBL408310 | 0.89 | CYP2C9 (0.67) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| Hydrochloric Acid SCHEMBL22076570 | 0.87 | CYP2C9 (0.65) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| SCHEMBL29201540 | 0.87 | CYP2C9 (0.65) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| Fluoride SCHEMBL2310518 | 0.87 | CYP2C9 (0.65) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| Bromide SCHEMBL6851253 | 0.87 | CYP2C9 (0.65) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| SCHEMBL15524624 | 0.80 | POLB (0.54) | CYP2C9SMN1; SMN2EPHX1POLBLMNA | |
| Thiosulfuric Acid SCHEMBL11089898 | 0.79 | CA2 (0.52) | SMN1; SMN2HTTHPGDHDAC3CA12 | |
| Thiosulfuric Acid SCHEMBL11094603 | 0.78 | PRSS1 (0.56) | POLBLMNAHPGDHDAC3HDAC1 | |
| SCHEMBL17865779 | 0.78 | LMNA (0.58) | CYP2C9SMN1; SMN2EPHX1POLBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |