Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL4682707 | 0.74 | CA2 (0.59) | NPC1KMT2AMMP1RAB9ACLK1 | |
| SCHEMBL7023947 | 0.72 | NFE2L2 (0.46) | NPC1KMT2ARAB9ANFE2L2KEAP1 | |
| SCHEMBL4682702 | 0.71 | NPC1 (0.50) | NPC1KMT2AMMP1RAB9ACLK1 | |
| SCHEMBL4682791 | 0.71 | CA2 (0.61) | NPC1KMT2AMMP1CA2NFE2L2 | |
| SCHEMBL21693464 | 0.70 | AOC3 (0.35) | NPC1KMT2ARAB9AALDH1A1 | |
| SCHEMBL7023577 | 0.70 | RAB9A (0.47) | NPC1KMT2ARAB9ACYP3A4CYP2C9 | |
| SCHEMBL6096854 | 0.70 | KMT2A (0.53) | NPC1KMT2AMMP1RAB9ACYP3A4 | |
| SCHEMBL4681762 | 0.69 | CA2 (0.62) | NPC1KMT2AMMP1CA2NFE2L2 | |
| SCHEMBL8463226 | 0.69 | FDPS (0.30) | — | |
| Hydrochloric Acid SCHEMBL21646234 | 0.69 | LOXL2 (0.36) | NPC1KMT2ARAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0749433-B1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | SYNGENTA LTD (GB) | 2003-05-07 | — | — | EP | disclosed |
| US-5952359-A | NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-14 | — | — | US | disclosed |
| US-5912243-A | NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS | ZENECA LIMITED (GB) | 1999-06-15 | — | — | US | disclosed |
| US-5705516-A | NEMATOCIDES, INSECTICIDES, ACARICIDES | ZENECA LIMITED (GB) | 1998-01-06 | — | — | US | disclosed |
| EP-0749433-A1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | ZENECA LIMITED (GB) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024403-A1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | ZENECA LIMITED (GB) | 1995-09-14 | — | — | WO | disclosed |