Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL27316212 | 0.89 | THRB (0.36) | ALDH1A1MAPK1HTTIKBKBCYP1A2 | |
| SCHEMBL8493329 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTIKBKBPOLB | |
| SCHEMBL8464103 | 0.85 | IKBKB (0.37) | ALDH1A1MAPK1HTTIKBKBACLY | |
| SCHEMBL8492097 | 0.83 | IKBKB (0.43) | ALDH1A1MAPK1HTTIKBKBPOLB | |
| SCHEMBL24886355 | 0.83 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL9174235 | 0.83 | L3MBTL1 (0.38) | ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL8489386 | 0.81 | IKBKB (0.41) | ALDH1A1MAPK1HTTIKBKBPOLB | |
| SCHEMBL8489244 | 0.79 | CXCR5 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL8488648 | 0.79 | IKBKB (0.40) | ALDH1A1MAPK1HTTIKBKBPOLB | |
| SCHEMBL8092645 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPK1HTTIKBKBPOLB |
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 6 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 |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |
| EP-0418175-B1 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE (GB) | 1996-07-17 | — | — | EP | disclosed |
| EP-0418175-A2 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1991-03-20 | — | — | EP | disclosed |