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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 8/20 | 0.33 |
| ▸ | CA2 | P00918 | 8/20 | 0.33 |
| ▸ | CA9 | Q16790 | 7/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7169578 | 0.91 | SPHK1 (0.35) | SPHK1CA1CA2CA9CA12 | |
| SCHEMBL29222338 | 0.83 | USP2 (0.49) | SPHK1LPAR1LPAR3 | |
| SCHEMBL29015847 | 0.81 | TP53 (0.40) | SPHK1TP53 | |
| SCHEMBL29023591 | 0.79 | GGPS1 (0.37) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28599417 | 0.77 | SPHK1 (0.38) | SPHK1CA1CA2CA9CA12 | |
| Sulfuric Acid SCHEMBL29112173 | 0.77 | CA1 (0.40) | SPHK1CA1CA2CA9CA12 | |
| SCHEMBL28644987 | 0.76 | SPHK1 (0.33) | SPHK1CA1CA2CA9CA12 | |
| Hydrochloric Acid SCHEMBL29028821 | 0.76 | SPHK1 (0.37) | SPHK1CA1CA2CA9CA12 | |
| Trimethylammonium SCHEMBL27565841 | 0.74 | EPHX1 (0.43) | CA1CA2CA9CA12CA7 | |
| SCHEMBL27680095 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117769354-A | Barrier film composition | 阿比尔技术公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-116158986-B | Hair cationic conditioner with fluffy effect | 佛山合德新材料有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-114748369-B | High-smoothness easy-carding type silicon-free hair conditioner and preparation method thereof | 上海蜂花日用品有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116158986-A | Hair cationic conditioner with fluffy and color-fixing effects | 佛山合德新材料有限公司 | 2023-05-26 | — | — | CN | disclosed |