Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.63 |
| ▸ | TOP2A | P11388 | 14/20 | 0.59 |
| ▸ | TOP2B | Q02880 | 10/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.58 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.58 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.58 |
| ▸ | TOP1 | P11387 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387312 | 0.85 | ALDH1A1 (0.82) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9416068 | 0.85 | ALDH1A1 (0.82) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9416082 | 0.85 | ALDH1A1 (0.82) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8699900 | 0.84 | ALDH1A1 (0.71) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL9416083 | 0.84 | ALDH1A1 (0.80) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL8566510 | 0.84 | ALDH1A1 (0.80) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL10897109 | 0.84 | ALDH1A1 (0.63) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL8566204 | 0.83 | ALDH1A1 (0.72) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9046371 | 0.83 | KDM4E (0.71) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9432133 | 0.83 | ALDH1A1 (0.62) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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-0360258-B1 | Amino acid quinoline and naphthyridine derivatives | ABBOTT LAB (US) | 1996-08-14 | — | — | EP | disclosed |
| US-5057523-A | Water soluble bactericide | ABBOTT LABORATORIES (US) | 1991-10-15 | — | — | US | disclosed |
| US-5057520-A | Water solubility | ABBOTT LABORATORIES (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0360258-A2 | Amino acid quinoline and naphthyridine derivatives | ABBOTT LABORATORIES (US) | 1990-03-28 | — | — | EP | disclosed |