Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butyrolactone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 SCHEMBL25427151 | 1.00 | CA1 (0.67) | CA1CA9LMNATSHRALDH1A1 | |
| Butyrolactone SCHEMBL3638548 | 0.95 | CA1 (0.61) | CA1CA9LMNATSHRALDH1A1 | |
| Bicarbonate SCHEMBL2495473 | 0.92 | CA1 (0.80) | CA1CA9LMNATSHRALDH1A1 | |
| Bicarbonate SCHEMBL6753674 | 0.92 | CA1 (0.80) | CA1CA9LMNATSHRALDH1A1 | |
| Butyrolactone SCHEMBL28099382 | 0.90 | CA1 (0.61) | CA1CA9LMNATSHRALDH1A1 | |
| Butyrolactone SCHEMBL6571306 | 0.90 | CA1 (0.61) | CA1CA9LMNATSHRALDH1A1 | |
| Bicarbonate SCHEMBL8606312 | 0.90 | CA1 (0.76) | CA1CA9LMNATSHRALDH1A1 | |
| Butyrolactone SCHEMBL10999881 | 0.90 | CA1 (0.61) | CA1CA9LMNATSHRALDH1A1 | |
| Bicarbonate SCHEMBL2501163 | 0.90 | CA1 (0.67) | CA1CA9LMNATSHRALDH1A1 | |
| Bicarbonate SCHEMBL980234 | 0.90 | CA1 (0.67) | CA1CA9LMNATSHRALDH1A1 |
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-6451753-B2 | CYCLIC CARBAMATE, LACTONOXY OR LACTAM STRUCTURE AND/OR OXIME ESTERS AND INERT POROUS CARRIER OF GIVEN SURFACE AREA; STORAGE STABLE SOLID, FREE-FLOWING FORM | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |
| US-5972237-A | USED AS COLD BLEACH ACTIVATORS OR OPTICAL BRIGHTENERS IN DETERGENTS, CLEANERS AND BLEACHES AND IN DISINFECTANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-26 | — | — | US | disclosed |