Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 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 | |
|---|---|---|---|---|
| SCHEMBL8922644 | 1.00 | ALDH1A1 (0.53) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8922648 | 1.00 | ALDH1A1 (0.53) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL8920633 | 0.99 | ALDH1A1 (0.52) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL8920629 | 0.99 | ALDH1A1 (0.52) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8926639 | 0.97 | ALDH1A1 (0.50) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8923536 | 0.92 | KCNH2 (0.42) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8323421 | 0.92 | KCNH2 (0.42) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8327861 | 0.90 | ALDH1A1 (0.63) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8322333 | 0.90 | ALDH1A1 (0.41) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8318803 | 0.90 | ALDH1A1 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705828-B1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1999-12-01 | — | — | EP | disclosed |
| EP-0705828-A1 | Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents | BAYER AG (DE) | 1996-04-10 | — | — | EP | disclosed |