Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9079258 | 0.93 | KIF11 (0.37) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9079230 | 0.83 | KIF11 (0.42) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4430846 | 0.80 | TP53 (0.39) | KIF11CASP1HSD17B10NPC1SMN1; SMN2 | |
| SCHEMBL4874767 | 0.79 | CASP1 (0.44) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1007659 | 0.77 | ACHE (0.44) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9080465 | 0.76 | ALDH1A1 (0.38) | KIF11HSD17B10ALDH1A1ACHEAR | |
| SCHEMBL10624241 | 0.75 | ALDH1A1 (0.48) | RAB9ASMN1; SMN2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL9080579 | 0.74 | MAOB (0.43) | KIF11USP2IDO1AGXT | |
| SCHEMBL11074467 | 0.74 | LMNA (0.46) | KIF11CASP1HSD17B10NPC1RAB9A | |
| SCHEMBL6821384 | 0.74 | TAAR1 (0.43) | IDO1AGXT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6444679-B1 | NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; DELTA OPIOID LIGANDS OR OPIOID RECEPTORS | PFIZER INC | 2002-09-03 | — | — | US | disclosed |
| EP-1038872-A1 | 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands | Pfizer Products Inc. (US) | 2000-09-27 | — | — | EP | disclosed |
| US-5519022-A | α, α dialkylbenzyl derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| US-5288742-A | Lipoxygenase inhibitor | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-02-22 | — | — | US | disclosed |
| EP-0505122-A1 | Alpha, alpha-dialkylbenzyl derivatives | ZENECA LIMITED (GB) | 1992-09-23 | — | — | EP | disclosed |