Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CLK2 | P49760 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 7/20 | 0.49 |
| ▸ | TOP2B | Q02880 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL116593 | 0.88 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL116198 | 0.85 | ALDH1A1 (0.50) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL1416046 | 0.79 | KCNH2 (0.58) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL116806 | 0.77 | LMNA (0.55) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL143404 | 0.77 | LMNA (0.55) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL145406 | 0.77 | ALDH1A1 (0.52) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL10569899 | 0.77 | TOP2A (0.56) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL116030 | 0.76 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL1416368 | 0.76 | TOP2A (0.53) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL1416369 | 0.76 | TOP2A (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009137130-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |