Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1229992 | 0.89 | CA2 (0.40) | CA2CA1USP2TSHR | |
| SCHEMBL27418084 | 0.80 | CA1 (0.33) | CA2CA1TSHR | |
| Ammonia Solution, Strong SCHEMBL18690256 | 0.77 | CA2 (0.39) | CA2CA1USP2TSHR | |
| SCHEMBL6945178 | 0.77 | CA2 (0.35) | CA2CA1USP2TSHR | |
| SCHEMBL3967860 | 0.77 | CA2 (0.35) | CA2CA1USP2TSHR | |
| Hydrazine SCHEMBL679587 | 0.76 | — | — | |
| Methylamine SCHEMBL143865 | 0.76 | — | — | |
| Hydroxyamine SCHEMBL27900806 | 0.76 | — | — | |
| SCHEMBL5991 | 0.76 | — | — | |
| SCHEMBL27259142 | 0.76 | TSHR (0.50) | CA2CA1USP2TSHR |
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-8883712-B2 | Fabric softening composition | EVONIK DEGUSSA GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-20130053299-A1 | Fabric Softening Composition | EVONIK DEGUSSA GMBH (DE) | 2013-02-28 | — | — | US | disclosed |