Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DDX3X | O00571 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6068046 | 0.79 | MAOA (0.39) | RECQLTSHRCYP3A4ALDH1A1CASP1 | |
| SCHEMBL4489979 | 0.74 | MAOA (0.48) | RECQLTSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL5712543 | 0.73 | ALOX15 (0.39) | TSHRCYP3A4ALDH1A1TDP1PLAU | |
| SCHEMBL3246718 | 0.68 | CDC7 (0.47) | TSHRCYP3A4ALDH1A1CYP2D6PIK3CA | |
| SCHEMBL16425703 | 0.67 | CYP1A2 (0.41) | CD44TSHRCYP3A4ALDH1A1ACHE | |
| SCHEMBL1133289 | 0.67 | MGAM (0.47) | CYP3A4ALDH1A1ACHETDP1CYP1A2 | |
| SCHEMBL23452101 | 0.67 | APP (0.58) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL3082747 | 0.67 | MAPT (0.44) | RECQLCYP3A4ALDH1A1CYP1A2HSD17B1 | |
| SCHEMBL19990277 | 0.67 | HSD17B1 (0.55) | CYP3A4ALDH1A1CASP1HSD17B1HSD17B2 | |
| SCHEMBL10583935 | 0.67 | IKBKB (0.46) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408713-B1 | PHENYLSULPHONE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-05-19 | — | — | EP | disclosed |
| EP-0408713-A1 | PHENYLSULPHONE DERIVATIVES. | ICI PLC (GB) | 1991-01-23 | — | — | EP | disclosed |
| WO-1990008761-A1 | PHENYLSULPHONE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-09 | — | — | WO | disclosed |