Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.41 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.41 |
| ▸ | NEK10 | Q6ZWH5 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738820 | 0.83 | ALDH1A1 (0.49) | ILKLCKMAP2K3MAP2K6BTK | |
| SCHEMBL29617978 | 0.83 | ALDH1A1 (0.49) | ILKLCKMAP2K3MAP2K6BTK | |
| SCHEMBL24183836 | 0.70 | HPRT1 (0.48) | HPRT1ALDH1A1MAPTHPGDTDP1 | |
| Phenanthrene SCHEMBL27765703 | 0.70 | HSD17B10 (0.63) | HPRT1ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL260660 | 0.69 | KDM4E (0.53) | ALDH1A1MAPTTDP1KDM4EGAA | |
| SCHEMBL27853755 | 0.69 | KDM4E (0.41) | LCKMAP2K3MAP2K6BTKMAP3K19 | |
| SCHEMBL9983864 | 0.69 | PIM3 (0.47) | LCKMAP2K3MAP2K6BTKMAP3K19 | |
| SCHEMBL28279288 | 0.68 | MAP2K3 (0.53) | LCKMAP2K3MAP2K6BTKMAP3K19 | |
| SCHEMBL27682494 | 0.68 | MAP2K3 (0.53) | ILKLCKMAP2K3MAP2K6BTK | |
| SCHEMBL14993997 | 0.68 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDTDP1KDM4E |
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-1021415-A1 | TRICYCLIC AMINOALKYLCARBOXAMIDES; NOVEL DOPAMINE D 3? RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |
| US-5910586-A | Tricyclic aminoalkylcarboxamides; dopamine D3 receptor subtype specific ligands | NEUROGEN CORPORATION (US) | 1999-06-08 | — | — | US | disclosed |
| US-5688950-A | NERVOUS SYSTEM DISORDERS, SIDE EFFECT REDUCTION | NEUROGEN CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |
| WO-1997040015-A1 | TRICYCLIC AMINOALKYLCARBOXAMIDES; NOVEL DOPAMINE D3 RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |