Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.50 |
| ▸ | TOP2A | P11388 | 6/20 | 0.49 |
| ▸ | TOP1 | P11387 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TOP2B | Q02880 | 5/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8565145 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8901278 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8909106 | 0.92 | ALDH1A1 (0.62) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8909094 | 0.92 | ALDH1A1 (0.62) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8603334 | 0.92 | ALDH1A1 (0.62) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8903272 | 0.92 | ALDH1A1 (0.49) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8573058 | 0.92 | ALDH1A1 (0.49) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8903277 | 0.92 | ALDH1A1 (0.49) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8902173 | 0.91 | KCNH2 (0.55) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL8571674 | 0.91 | KCNH2 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| US-5648493-A | MULTISTAGE PROCESS BY CONDENSING AN OXO COMPOUND WITH AN AMINO COMPOUND TO PRODUCE AN IMINE THEN REACTING WITH AN OXO QUINOLINE CARBOXYLIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| US-5061712-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-29 | — | — | US | disclosed |