Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013582 | 0.86 | PIK3CA (0.43) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL246534 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL31195982 | 0.78 | CNR2 (0.46) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL1460126 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL17310188 | 0.74 | CYP2C19 (0.54) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL21768414 | 0.74 | HTT (0.50) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL17310185 | 0.74 | CYP2C19 (0.54) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL22090007 | 0.72 | MAPT (0.67) | ALDH1A1CYP2C19CYP1A2MAPTCYP2C9 | |
| SCHEMBL29203447 | 0.71 | CYP11B1 (0.57) | ALDH1A1CYP1A2MAPTCYP2C9CNR2 | |
| SCHEMBL30240845 | 0.71 | CYP11B1 (0.57) | ALDH1A1CYP1A2MAPTCYP2C9CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5536745-A | (Hetero)-aryl ketones derivatives with antibacterial properties | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-07-16 | — | — | US | disclosed |
| EP-0652875-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994002478-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1994-02-03 | — | — | WO | disclosed |