Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 13/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 13/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30468815 | 0.83 | ALDH1A1 (0.57) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL966067 | 0.83 | ALDH1A1 (0.57) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7646010 | 0.82 | ALDH1A1 (0.47) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL30863948 | 0.81 | STAT3 (0.56) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL5704368 | 0.81 | STAT3 (0.56) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL10435128 | 0.81 | ALDH1A1 (0.44) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL1844834 | 0.80 | ALDH1A1 (0.43) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7646013 | 0.75 | ALDH1A1 (0.37) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL13341778 | 0.74 | KCNH2 (0.54) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL13341782 | 0.74 | STAT3 (0.39) | TOP2ATOP2B |
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-1159277-A1 | CRYSTAL MODIFICATION D OF 8-CYANO-1-CYCLOPROPYL-7- (1S, 6S- 2,8- DIAZABICYCLO- 4.3.0] NONAN-8-YL) -6-FLUORO -1,4-DIHYDRO -4-OXO -3-QUINOLINE CARBOXYLIC ACID | Bayer Aktiengesellschaft (DE) | 2001-12-05 | — | — | EP | disclosed |
| EP-1133495-A1 | SEMI-HYDROCHLORIDE OF 8-CYAN-1- CYCLOPROPYL -7-(1S,6S-2 ,8-DIAZABICYCLO 4.3.0]NONAN -8-YL)-6- FLUORO-1, 4-DIHYDRO -4-OXO-3- QUINOLINE CARBOXYLIC ACID | Bayer Aktiengesellschaft (DE) | 2001-09-19 | — | — | EP | disclosed |
| EP-1133497-A1 | CRYSTAL MODIFICATION B OF 8-CYANO-1- CYCLOPROPYL -7-(1S,6S-2, 8-DIAZABICYCLO 4.3.0]NONAN -8-YL)-6- FLUORO-1,4- DIHYDRO-4- OXO-3-QUINOLINE CARBOXYLIC ACID | Bayer Aktiengesellschaft (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000052010-A1 | CRYSTAL MODIFICATION D OF 8-CYANO-1-CYCLOPROPYL-7- (1S, 6S- 2,8- DIAZABICYCLO- [4.3.0] NONAN-8-YL) -6-FLUORO -1,4-DIHYDRO -4-OXO -3-QUINOLINE CARBOXYLIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000031077-A1 | SEMI-HYDROCHLORIDE OF 8-CYAN-1- CYCLOPROPYL -7-(1S,6S-2 ,8-DIAZABICYCLO [4.3.0]NONAN -8-YL)-6- FLUORO-1, 4-DIHYDRO -4-OXO-3- QUINOLINE CARBOXYLIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-02 | — | — | WO | disclosed |
| WO-2000031076-A1 | CRYSTAL MODIFICATION B OF 8-CYANO-1- CYCLOPROPYL -7-(1S,6S-2, 8-DIAZABICYCLO [4.3.0]NONAN -8-YL)-6- FLUORO-1,4- DIHYDRO-4- OXO-3-QUINOLINE CARBOXYLIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-02 | — | — | WO | disclosed |