Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 2/20 | 0.64 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.64 |
| ▸ | CCR1 | P32246 | 1/20 | 0.62 |
| ▸ | FERMT2 | Q96AC1 | 4/20 | 0.60 |
| ▸ | CCNC | P24863 | 1/20 | 0.58 |
| ▸ | CDK8 | P49336 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7509385 | 0.91 | CYP1A2 (0.65) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL7500391 | 0.89 | CYP1A2 (0.78) | CYP1A2HRH3CCR1FERMT2CCNC | |
| SCHEMBL7513234 | 0.87 | CCR1 (0.62) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL7501930 | 0.87 | HTR1A (0.66) | HTR1AADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL7510312 | 0.86 | CYP1A2 (0.70) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL7505625 | 0.86 | HTR1A (0.69) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL13496183 | 0.85 | PKM (0.66) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL21855417 | 0.84 | CYP1A2 (0.70) | CYP1A2HRH3CCR1FERMT2CCNC | |
| SCHEMBL31020168 | 0.84 | CYP1A2 (0.70) | CYP1A2HRH3CCR1FERMT2CCNC | |
| SCHEMBL7503073 | 0.84 | CCNC (0.81) | CYP1A2CCR1FERMT2CCNCCDK8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326331-B1 | Substituted quinolines and cinnolines | DOW AGROSCIENCES LLC (US) | 2002-04-17 | — | — | EP | disclosed |