Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 3/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916791 | 1.00 | CPB1 (0.77) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL17440204 | 0.92 | CPB1 (0.74) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL23089809 | 0.91 | CPB1 (0.90) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL30059391 | 0.91 | CPB1 (0.90) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL2497897 | 0.91 | CPB1 (0.90) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL12193443 | 0.91 | CPB1 (0.90) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL29046618 | 0.90 | CPB1 (0.69) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL30288858 | 0.90 | CPB1 (0.69) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL29046605 | 0.90 | CPB1 (0.69) | CPB1CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL30288647 | 0.90 | CPB1 (0.69) | CPB1CYP2C9CYP2C19ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-85105805-A | Produce the novel method of tricyclic quinoline derivatives | — | 1987-01-28 | — | — | CN | disclosed |
| EP-0171277-A2 | Improvements in or relating to tricycling quinoline derivatives | ELI LILLY AND COMPANY (US) | 1986-02-12 | — | — | EP | disclosed |
| US-4537964-A | Method of preparing permissibly-substituted 1H(and 2H)pyrazolo[3,4-g]quinolines; pyrimido[4,5,g]quinolines; thiazolo[4,5,g]quinolines and intermediates therefore | ELI LILLY AND COMPANY (US) | 1985-08-27 | — | — | US | disclosed |