Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 4/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5743069 | 0.92 | ADRB2 (0.41) | ADRB2TDP1TOP2ATOP2BPIK3CA | |
| SCHEMBL5732598 | 0.92 | ADRB2 (0.43) | ADRB2TDP1TOP2ATOP2BPIK3CA | |
| SCHEMBL5732835 | 0.91 | ADRB2 (0.44) | ADRB2TDP1TOP2ATOP2BPIK3CA | |
| SCHEMBL5733125 | 0.90 | TOP2A (0.42) | TOP2ATOP2BPIK3CAKCNH2CYP1A2 | |
| SCHEMBL5732806 | 0.86 | ADRB2 (0.43) | ADRB2TDP1TOP2ATOP2BKCNH2 | |
| SCHEMBL5733690 | 0.83 | ADRB2 (0.43) | ADRB2TDP1TOP2ATOP2BKCNH2 | |
| SCHEMBL5733902 | 0.82 | ADRB2 (0.44) | ADRB2TDP1TOP2ATOP2BPIK3CA | |
| SCHEMBL5733121 | 0.82 | ADRB2 (0.42) | ADRB2TDP1TOP2ATOP2BKCNH2 | |
| SCHEMBL5732650 | 0.81 | ADRB2 (0.43) | ADRB2TDP1TOP2ATOP2BKCNH2 | |
| SCHEMBL5744355 | 0.81 | ADRB2 (0.42) | ADRB2TDP1TOP2ATOP2BKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1070713-B1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2006-10-18 | — | — | EP | disclosed |
| US-6335447-B1 | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| EP-1070713-A1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2001-01-24 | — | — | EP | disclosed |