Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| Butyrolactone SCHEMBL4957498 | 0.93 | CA1 (0.37) | CA1CA9ALDH1A1TSHRHTT | |
| Butyrolactone SCHEMBL7616463 | 0.86 | CA1 (0.56) | CA1CA9ALDH1A1TSHRKDM4E | |
| Acetic Acid Propyl Ester SCHEMBL21270020 | 0.85 | CA1 (0.44) | CA1CA9ALDH1A1TSHRSMN1; SMN2 | |
| Butyrolactone SCHEMBL3049364 | 0.84 | ALDH1A1 (0.58) | CA1CA9ALDH1A1TSHRHTT | |
| Butyrolactone SCHEMBL28668144 | 0.83 | ALDH1A1 (0.56) | CA1CA9ALDH1A1TSHRHTT | |
| Acetic Acid Butyl Ester SCHEMBL9131200 | 0.83 | ALDH1A1 (0.56) | CA1CA9ALDH1A1TSHRSMN1; SMN2 | |
| Acetic Acid Butyl Ester SCHEMBL9131190 | 0.83 | ALDH1A1 (0.56) | CA1CA9ALDH1A1TSHRSMN1; SMN2 | |
| Ethyl Acetate SCHEMBL2248792 | 0.81 | ALDH1A1 (0.50) | CA1CA9ALDH1A1TSHRHTT | |
| Acetic Acid Pentyl Ester SCHEMBL9131107 | 0.81 | ALDH1A1 (0.50) | CA1CA9ALDH1A1TSHRTP53 | |
| Butyrolactone SCHEMBL2671380 | 0.81 | ALDH1A1 (0.46) | CA1CA9ALDH1A1TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4767564-A | 4-BUTYROLACTONE, ETHYLENE GLYCOL MONOMETHYL ETHER ACETATE; SODIUM HYPOCHLORITE SOLUTION | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1988-08-30 | — | — | US | disclosed |