Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC26A6 | Q9BXS9 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8488359 | 0.90 | ALDH1A1 (0.37) | ALDH1A1PKMHTTHPGDLMNA | |
| SCHEMBL8492245 | 0.89 | PKM (0.48) | ALDH1A1PKMHTTHPGDLMNA | |
| SCHEMBL8491581 | 0.88 | NR1H4 (0.36) | ALDH1A1PKMCFTRHTTLMNA | |
| SCHEMBL8488004 | 0.86 | HTT (0.45) | ALDH1A1HTTHPGDLMNAKDM4E | |
| SCHEMBL8816612 | 0.86 | TP53 (0.41) | ALDH1A1HTTLMNAKDM4EHSP90AA1 | |
| SCHEMBL8817056 | 0.84 | MLYCD (0.41) | ALDH1A1HTTLMNAMAPTTSHR | |
| SCHEMBL8815439 | 0.83 | PKM (0.33) | ALDH1A1PKMHTTLMNAKDM4E | |
| SCHEMBL8490493 | 0.83 | ALDH1A1 (0.36) | ALDH1A1HTTLMNAHSP90AA1MAPT | |
| SCHEMBL8747816 | 0.83 | ELANE (0.42) | ALDH1A1PKMHTTHPGDLMNA | |
| SCHEMBL8815421 | 0.83 | MEN1 (0.39) | ALDH1A1PKMCFTRHTTLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5859283-A | TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-12 | — | — | US | disclosed |
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| WO-1997027187-A1 | ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-31 | — | — | WO | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |