Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Grepafloxacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.98 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | CLK2 | P49760 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TOP2A | P11388 | 3/20 | 0.52 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Grepafloxacin SCHEMBL7763536 | 1.00 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34155 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34156 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL29695614 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34157 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL1230941 | 0.98 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL29419670 | 0.98 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL2636690 | 0.98 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL137804 | 0.98 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| SCHEMBL9501145 | 0.92 | KCNH2 (0.87) | KCNH2HRH3KDM4EALDH1A1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1161106-C | Pharmaceutical composition having improved taste | 大V制药株式会社 | 2004-08-11 | — | — | CN | disclosed |
| CN-1316899-A | Pharmaceutical composition with improved taste | OTSUKA PHARMA CO LTD (JP) | 2001-10-10 | — | — | CN | disclosed |
| EP-1100466-A1 | PHARMACEUTICAL COMPOSITION HAVING IMPROVED TASTE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006122-A1 | PHARMACEUTICAL COMPOSITION HAVING IMPROVED TASTE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2000-02-10 | — | — | WO | disclosed |