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 SCHEMBL29419670 | 1.00 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL1230941 | 1.00 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL137804 | 1.00 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34155 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34157 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL29695614 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL34156 | 0.99 | KCNH2 (1.00) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL7763536 | 0.98 | KCNH2 (0.98) | KCNH2HRH3KDM4EALDH1A1HPGD | |
| Grepafloxacin SCHEMBL7763531 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3086646-A2 | PLANTS CONTAINING BENEFICIAL ENDOPHYTES | Indigo AG, Inc. (US) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015100432-A2 | METHOD FOR PROPAGATING MICROORGANISMS WITHIN PLANT BIOREACTORS AND STABLY STORING MICROORGANISMS WITHIN AGRICULTURAL SEEDS | SYMBIOTA, INC. (US) | 2015-07-02 | — | — | WO | disclosed |
| WO-2015100431-A2 | PLANTS CONTAINING BENEFICIAL ENDOPHYTES | SYMBIOTA, INC. (US) | 2015-07-02 | — | — | WO | disclosed |
| EP-2437596-A1 | SKIN TREATMENT COMPOSITIONS | Ex-Tek, LLC (US) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010141711-A1 | SKIN TREATMENT COMPOSITIONS | EX-TEK, LLC (US) | 2010-12-09 | — | — | WO | disclosed |
| EP-1211627-A1 | Method and system for registration, identifying and processing of drug specific data | TheraSTrat AG (CH) | 2002-06-05 | — | — | EP | disclosed |