Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.41 |
| ▸ | CLPP | Q16740 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL653269 | 0.88 | GAA (0.57) | CYP2D6TSHRGAASIGMAR1NR3C1 | |
| SCHEMBL16903456 | 0.80 | GAA (0.54) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL6589016 | 0.80 | CXCR3 (0.41) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL3140906 | 0.76 | KDM4E (0.46) | GAASIGMAR1ALDH1A1CLPP | |
| SCHEMBL4364213 | 0.73 | GAA (0.53) | CYP2D6TSHRGAASIGMAR1NR3C1 | |
| SCHEMBL6581527 | 0.72 | GAA (0.51) | CYP2D6TSHRCYP3A4GAASIGMAR1 | |
| SCHEMBL28040054 | 0.72 | ALDH1A1 (0.35) | ALDH1A1DDB1CRBNHTR2C | |
| SCHEMBL4369263 | 0.72 | GAA (0.50) | CYP2D6TSHRGAASIGMAR1NR3C1 | |
| SCHEMBL3315042 | 0.71 | NR3C1 (0.49) | CYP2D6CYP3A4GAASIGMAR1NR3C1 | |
| SCHEMBL13090069 | 0.71 | NR3C1 (0.52) | CYP2D6TSHRCYP3A4GAASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1392677-A2 | CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | Wockhardt Limited (IN) | 2004-03-03 | — | — | 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 |
| WO-2002085886-A2 | CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | WOCKHARDT LIMITED (IN) | 2002-10-31 | — | — | WO | disclosed |