Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 2/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL8491460 | 0.87 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8492581 | 0.84 | GPR119 (0.33) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8492547 | 0.81 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL7807426 | 0.76 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8488998 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8494506 | 0.73 | LMNA (0.35) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL6101293 | 0.73 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8491698 | 0.71 | IKBKB (0.35) | ALDH1A1HTT | |
| SCHEMBL8488648 | 0.70 | IKBKB (0.40) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8493432 | 0.69 | GPR119 (0.38) | ALDH1A1LMNAKMT2A |
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 4 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 |