Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047922 | 0.89 | KDM4E (0.46) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL8089789 | 0.86 | ALDH1A1 (0.54) | KDM4EALDH1A1HSD17B10HPGDKCNH2 | |
| SCHEMBL8084270 | 0.84 | HSD17B10 (0.53) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL8095031 | 0.84 | DRD3 (0.59) | KDM4EALDH1A1HSD17B10HPGDDRD3 | |
| SCHEMBL10689137 | 0.82 | KDM4E (0.68) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL10689149 | 0.82 | KDM4E (0.68) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL10689144 | 0.82 | KDM4E (0.68) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL9095830 | 0.79 | ALDH1A1 (0.67) | KDM4EALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL9524138 | 0.79 | KDM4E (0.72) | KDM4EALDH1A1HSD17B10HPGDPMP22 | |
| SCHEMBL9085609 | 0.79 | KDM4E (0.63) | KDM4EALDH1A1HSD17B10HPGDTOP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6018054-A | INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |