Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8244556 | 0.85 | HRH3 (0.54) | ALDH1A1HRH3HRH4LMNACYP1A2 | |
| SCHEMBL16254956 | 0.85 | GAA (0.58) | ALDH1A1HRH3HRH4GAA | |
| SCHEMBL13727922 | 0.85 | GAA (0.58) | ALDH1A1HRH3HRH4GAA | |
| SCHEMBL25740940 | 0.85 | GAA (0.58) | ALDH1A1HRH3HRH4GAA | |
| SCHEMBL13726832 | 0.85 | HPGD (0.60) | ALDH1A1HRH3HRH4LMNAHPGD | |
| SCHEMBL82814 | 0.85 | HPGD (0.60) | ALDH1A1HRH3HRH4LMNAHPGD | |
| SCHEMBL17465254 | 0.84 | HRH3 (0.51) | ALDH1A1HRH3HRH4GAA | |
| SCHEMBL19851034 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HRH3HRH4HPGD | |
| SCHEMBL12717 | 0.83 | CYP3A4 (0.66) | ALDH1A1HRH3HRH4CYP1A2CYP3A4 | |
| SCHEMBL5304179 | 0.83 | CYP3A4 (0.66) | ALDH1A1HRH3HRH4CYP1A2CYP3A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1590327-A1 | CCR8 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-11-02 | — | — | EP | disclosed |
| EP-1581511-A1 | CCR8 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-10-05 | — | — | EP | disclosed |
| EP-1534703-A2 | ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR | ABBOTT LABORATORIES (US) | 2005-06-01 | — | — | EP | disclosed |
| 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-2004058709-A1 | CCR8 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| WO-2004058736-A1 | CCR8 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| WO-2003106452-A2 | ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-12-24 | — | — | WO | 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 |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |