Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | POLB | P06746 | 2/20 | 0.82 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.82 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.82 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.82 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.82 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CLK2 | P49760 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | TOP2A | P11388 | 10/20 | 0.57 |
| ▸ | TOP2B | Q02880 | 8/20 | 0.57 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | GSK3A | P49840 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9416068 | 1.00 | ALDH1A1 (0.82) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL1387312 | 1.00 | ALDH1A1 (0.82) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL9416083 | 0.99 | ALDH1A1 (0.80) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL8566510 | 0.99 | ALDH1A1 (0.80) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9790188 | 0.94 | ALDH1A1 (0.73) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9276870 | 0.94 | ALDH1A1 (0.73) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9790131 | 0.94 | ALDH1A1 (0.73) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9784578 | 0.94 | ALDH1A1 (0.72) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Water SCHEMBL9790126 | 0.93 | ALDH1A1 (0.72) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9666037 | 0.93 | ALDH1A1 (0.70) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0597303-A2 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-05-18 | — | — | EP | disclosed |
| US-4851418-A | Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent | WARNER-LAMBERT COMPANY (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0304087-A2 | Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent | WARNER-LAMBERT COMPANY (US) | 1989-02-22 | — | — | EP | disclosed |