Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | FLT1 | P17948 | 3/20 | 0.37 |
| ▸ | FLT4 | P35916 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | HPD | P32754 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | DTYMK | P23919 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8031398 | 0.85 | DTYMK (0.45) | CES2CYP3A4POLBMAPTALDH1A1 | |
| SCHEMBL4817687 | 0.78 | ATM (0.52) | CES2HPGDFLT1FLT4KDR | |
| SCHEMBL2204732 | 0.76 | HPGD (0.57) | HPGDFLT1FLT4KDRCYP1A2 | |
| SCHEMBL3126462 | 0.76 | CES2 (0.59) | CES2HPGDFLT1FLT4KDR | |
| SCHEMBL21885660 | 0.76 | GPR35 (0.56) | HPGDCYP3A4CYP2C19POLBMAPT | |
| SCHEMBL1663487 | 0.76 | KCNMA1 (0.47) | CES2HPGDFLT1FLT4KDR | |
| SCHEMBL18607548 | 0.76 | VCAM1 (0.51) | MAPTTSHRVCAM1 | |
| SCHEMBL667615 | 0.76 | ALDH1A1 (0.53) | CES2ALDH1A1TSHRVCAM1CASP6 | |
| SCHEMBL21814270 | 0.75 | DTYMK (0.57) | CES2CYP3A4MAPTALDH1A1TSHR | |
| SCHEMBL3900483 | 0.75 | CTSD (0.41) | CES2HPGDFLT1FLT4KDR |
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-6140528-A | ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-10-31 | — | — | US | disclosed |
| US-6013805-A | USED AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-01-11 | — | — | US | disclosed |
| US-5849928-A | Herbicidal isoxazole and 2-cyano-1,3-dione compounds | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1998-12-15 | — | — | US | disclosed |