Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862412 | 1.00 | NQO1 (0.47) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9862695 | 0.83 | NQO1 (0.47) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9862696 | 0.83 | NQO1 (0.47) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9862617 | 0.82 | NQO1 (0.45) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9862470 | 0.82 | NQO1 (0.45) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9804340 | 0.81 | PARP10 (0.47) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9804334 | 0.81 | PARP10 (0.47) | NQO1PARP10PRSS1PRSS2PRSS3 | |
| SCHEMBL9862639 | 0.77 | TRPV1 (0.41) | MAOBNPC1KMT2ARAB9A | |
| SCHEMBL9862610 | 0.77 | TRPV1 (0.41) | MAOBNPC1KMT2ARAB9A | |
| SCHEMBL9804223 | 0.77 | PLK1 (0.49) | PARP10MAOBCYP1A1CYP1B1NPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4891450-A | FLUORINE-CONTAINING ARYLALKENES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-01-02 | — | — | US | claimed |
| EP-0280383-A1 | Process for intermediates for insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-31 | — | — | EP | claimed |
| US-5225607-A | Multistage etherification or dehydrohalogenation and reductive dechlorination | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-07-06 | — | — | US | disclosed |
| EP-0276558-B1 | INSECTICIDAL ETHERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-08 | — | — | EP | disclosed |
| US-4988826-A | Fluoroalkylstyrene derivatives as intermediates for insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-29 | — | — | US | disclosed |
| US-4891450-A | FLUORINE-CONTAINING ARYLALKENES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-01-02 | — | — | US | disclosed |
| EP-0280383-A1 | Process for intermediates for insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-31 | — | — | EP | disclosed |
| EP-0276558-A2 | Insecticidal ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-03 | — | — | EP | disclosed |