Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.31 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8745964 | 0.86 | ITGB1 (0.41) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8745942 | 0.86 | CYP3A4 (0.37) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8745940 | 0.86 | CYP3A4 (0.35) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8745950 | 0.85 | CYP3A4 (0.39) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8745947 | 0.84 | RIPK1 (0.36) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8579896 | 0.81 | — | — | |
| SCHEMBL8745923 | 0.81 | ACP3 (0.37) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL8828275 | 0.78 | CYP3A4 (0.39) | CYP3A4TSHRKDM4EHSD17B10TDP1 | |
| SCHEMBL9028689 | 0.77 | SCN9A (0.37) | CNR2 | |
| SCHEMBL8745915 | 0.74 | CYP3A4 (0.39) | CYP3A4TSHRKDM4EHSD17B10TDP1 |
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-5672567-A | PRE- AND POST-EMERGENCE | ZENECA LIMITED (GB) | 1997-09-30 | — | — | US | disclosed |
| US-5670453-A | PYRAZINEARYL COMPOUND | ZENECA LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |
| EP-0758323-A1 | HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF | ZENECA LIMITED (GB) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995029898-A1 | HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF | ZENECA LIMITED (GB) | 1995-11-09 | — | — | WO | disclosed |