Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CLK2 | P49760 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TOP2A | P11388 | 6/20 | 0.50 |
| ▸ | TOP2B | Q02880 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 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 | |
|---|---|---|---|---|
| SCHEMBL9050187 | 0.89 | ALDH1A1 (0.42) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8133384 | 0.88 | ALDH1A1 (0.56) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8089789 | 0.86 | ALDH1A1 (0.54) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9666037 | 0.84 | ALDH1A1 (0.70) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8092597 | 0.83 | KCNH2 (0.48) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL10373922 | 0.82 | ALDH1A1 (0.60) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL10373920 | 0.82 | ALDH1A1 (0.60) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9372930 | 0.82 | ALDH1A1 (0.60) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8091158 | 0.82 | KCNH2 (0.54) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9066955 | 0.82 | ALDH1A1 (0.58) | ALDH1A1POLBOPRM1CHRM2CHRM1 |
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 |