Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650742 | 1.00 | VCAM1 (0.45) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9651931 | 0.99 | VCAM1 (0.44) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9651903 | 0.87 | COMT (0.58) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9651897 | 0.87 | COMT (0.58) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9651926 | 0.87 | FLT1 (0.44) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9651934 | 0.87 | FLT1 (0.44) | VCAM1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9650649 | 0.86 | COMT (0.43) | HPGDCYP3A4COMTFTOLMNA | |
| SCHEMBL9650642 | 0.86 | COMT (0.43) | HPGDCYP3A4COMTFTOLMNA | |
| SCHEMBL9653250 | 0.86 | CES2 (0.47) | HPGDCYP1A2CYP3A4FLT1FLT4 | |
| SCHEMBL9653248 | 0.86 | CES2 (0.47) | HPGDCYP1A2CYP3A4FLT1FLT4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0213892-B1 | HERBICIDALLY ACTIVE ENOLS | ROHM AND HAAS COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| US-4781750-A | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1988-11-01 | — | — | US | disclosed |
| EP-0213892-A2 | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |