Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28847143 | 0.83 | NQO1 (0.36) | KDM4E | |
| SCHEMBL19683552 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL21358386 | 0.74 | NOS3 (0.36) | — | |
| SCHEMBL28049660 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL20568246 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL1315960 | 0.72 | HSD17B10 (0.41) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL3293016 | 0.71 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL5936414 | 0.71 | CYP3A4 (0.55) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 | |
| SCHEMBL22899909 | 0.71 | — | — | |
| SCHEMBL1315783 | 0.71 | NOTUM (0.40) | ALDH1A1CYP3A4CA2KDM4EHSD17B10 |
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 |