Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 9/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 7/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 2/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12820265 | 0.93 | ALDH1A1 (0.52) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8775774 | 0.79 | ALDH1A1 (0.32) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL10430087 | 0.73 | ALDH1A1 (0.51) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL12553998 | 0.70 | ALDH1A1 (0.42) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL725805 | 0.70 | ALDH1A1 (0.88) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL725804 | 0.70 | ALDH1A1 (0.88) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL5959095 | 0.70 | ALDH1A1 (0.88) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL291598 | 0.69 | ALDH1A1 (0.86) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL29359545 | 0.69 | ALDH1A1 (0.86) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Besifloxacin SCHEMBL28011379 | 0.69 | ALDH1A1 (0.86) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011162951-A1 | COMPOSITIONS AND METHODS FOR ENHANCING REDUCTION OF SPORE-FORMING MICROORGANISM | BAUSCH & LOMB INCORPORATED (US) | 2011-12-29 | — | — | WO | disclosed |