Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28986864 | 0.77 | GPR3 (0.42) | PDE10AGPR3CYP1A2ALDH1A1MAPT | |
| SCHEMBL10483581 | 0.73 | CYP1A2 (0.31) | GPR3CYP1A2 | |
| SCHEMBL4573051 | 0.71 | GPR3 (0.39) | PDE10AGPR3CYP1A2ALDH1A1MAPT | |
| SCHEMBL294857 | 0.71 | CCR1 (0.36) | CYP1A2NPC1 | |
| SCHEMBL8703598 | 0.68 | NQO2 (0.35) | CYP1A2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL1069166 | 0.68 | ALDH1A1 (0.35) | PDE10AGPR3ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL231530 | 0.66 | GPR3 (0.64) | PDE10AGPR3CYP1A2ALDH1A1MAPT | |
| SCHEMBL8157747 | 0.66 | NPC1 (0.33) | CYP1A2NPC1 | |
| SCHEMBL8708879 | 0.65 | GABRA1 (0.33) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL9863892 | 0.64 | ACHE (0.30) | — |
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-1861409-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006100004-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2006-09-28 | — | — | WO | disclosed |