Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | HTR5A | P47898 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14008720 | 0.89 | AHR (0.47) | AHRCYP1A2CYP11B1CYP11B2HTR5A | |
| SCHEMBL14698684 | 0.86 | AHR (0.59) | AHRHTR5AHTR2AHTR2CHTR2B | |
| SCHEMBL10507013 | 0.85 | AHR (0.50) | AHRCYP1A2CYP11B1CYP11B2HTR5A | |
| SCHEMBL7016454 | 0.82 | AHR (0.61) | AHRHTR5AHTR2AHTR2CHTR2B | |
| SCHEMBL20582212 | 0.78 | AHR (0.47) | AHRHTR5AHTR2AHTR2CHTR2B | |
| SCHEMBL5108391 | 0.77 | AHR (0.41) | AHRCYP1A2HTR5AHTR2AHTR2C | |
| SCHEMBL2616890 | 0.77 | CYP1A2 (0.49) | AHRCYP1A2CYP11B1CYP11B2KIF11 | |
| SCHEMBL14698807 | 0.77 | MAPT (0.53) | AHRHTR5AHTR2AHTR2CHTR2B | |
| SCHEMBL1764573 | 0.77 | AHR (0.70) | AHRCYP1A2CYP11B1CYP11B2KIF11 | |
| SCHEMBL6820066 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP11B1CYP11B2HTR5AKIF11 |
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 |
|---|---|---|---|---|---|---|---|
| US-6723850-B1 | N-ALKYLATION OF THE THIOAMIDE WITH A VINYL KETONE IN PRESENCE OF A STRONG BASE; 6-CHLORO-(1H)-3,4-DIHYDROQUINOLIN-2-THIONE REACTED WITH ETHYL VINYL KETONE | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2004-04-20 | — | — | US | disclosed |
| EP-1102765-B1 | PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES | APPLIED RESEARCH SYSTEMS (AN) | 2003-09-17 | — | — | EP | disclosed |
| EP-1102765-A1 | PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES | Applied Research Systems ARS Holding N.V. (AN) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008019-A1 | PROCESS FOR THE SYNTHESIS OF (1H)-BENZO[C]QUINOLIZIN-3-ONES DERIVATIVES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2000-02-17 | — | — | WO | disclosed |
| EP-0162776-B1 | HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM | LABORATOIRES UPSA (FR) | 1989-04-19 | — | — | EP | disclosed |
| EP-0162776-A2 | Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them | LABORATOIRES UPSA (FR) | 1985-11-27 | — | — | EP | disclosed |