Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6009479 | 1.00 | ALDH1A1 (0.53) | ALDH1A1SIGMAR1CCR2SLC6A3CYP1A2 | |
| Hydrochloric Acid SCHEMBL5756120 | 0.98 | ALDH1A1 (0.51) | ALDH1A1SIGMAR1CCR2SLC6A3CYP1A2 | |
| SCHEMBL28316666 | 0.98 | ALDH1A1 (0.54) | ALDH1A1SIGMAR1CCR2SLC6A3MEN1 | |
| SCHEMBL9796769 | 0.98 | ALDH1A1 (0.54) | ALDH1A1SIGMAR1CCR2SLC6A3MEN1 | |
| Hydrochloric Acid SCHEMBL5757965 | 0.96 | ALDH1A1 (0.53) | ALDH1A1SIGMAR1CCR2SLC6A3CYP3A4 | |
| Oxalic Acid SCHEMBL27277928 | 0.92 | KMT2A (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL5757931 | 0.88 | SIGMAR1 (0.53) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL5760954 | 0.88 | SIGMAR1 (0.49) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL7250397 | 0.88 | SIGMAR1 (0.49) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL6974535 | 0.88 | LTA4H (0.55) | SIGMAR1SLC6A3MEN1KMT2A |
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-1401821-A4 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORP (KR) | 2006-05-31 | — | — | EP | disclosed |
| EP-1401821-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK Corporation (KR) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002100848-A1 | NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS | SK CORPORATION (KR) | 2002-12-19 | — | — | WO | disclosed |
| EP-0256181-B1 | NOVEL QUINALDINAMIDE DERIVATIVES AND THEIR PREPARATIONS | NIPPON CHEMIPHAR CO., LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |
| US-4764617-A | MUSCLE RELAXANTS | NIPPON CHEMIPHAR CO., LTD. (JP) | 1988-08-16 | — | — | US | disclosed |
| EP-0256181-A1 | Novel quinaldinamide derivatives and their preparations | NIPPON CHEMIPHAR CO., LTD. (JP) | 1988-02-24 | — | — | EP | disclosed |