Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6585162 | 0.81 | CXCR3 (0.39) | CXCR3CYP2D6TSHRCYP3A4KDM1A | |
| SCHEMBL6580879 | 0.80 | CYP2D6 (0.47) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL653269 | 0.78 | GAA (0.57) | CYP2D6TSHRGAASIGMAR1NR3C1 | |
| SCHEMBL4368251 | 0.75 | CXCR3 (0.56) | CXCR3GAASIGMAR1BCHEACHE | |
| SCHEMBL16903456 | 0.71 | GAA (0.54) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL4368180 | 0.67 | CXCR3 (0.53) | CXCR3KDM1AGAASIGMAR1BCHE | |
| SCHEMBL3140906 | 0.67 | KDM4E (0.46) | GAASIGMAR1CHRM2CHRM3DRD4 | |
| SCHEMBL6581527 | 0.66 | GAA (0.51) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL4371247 | 0.66 | GRIN2B (0.41) | KDM1AMAOAGAABCHEACHE | |
| SCHEMBL4364213 | 0.65 | GAA (0.53) | CYP2D6TSHRGAASIGMAR1NR3C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453824-A1 | NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS | Wockhardt Limited (IN) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003050107-A1 | NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS | WOCKHARDT LIMITED (IN) | 2003-06-19 | — | — | WO | disclosed |