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 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 9/20 | 0.35 |
| ▸ | CA2 | P00918 | 9/20 | 0.35 |
| ▸ | CA9 | Q16790 | 8/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.34 |
| ▸ | 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 |
| ▸ | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29028821 | 0.98 | SPHK1 (0.37) | SPHK1TP53CA1CA2CA9 | |
| SCHEMBL27564512 | 0.84 | SPHK1 (0.44) | SPHK1CA1CA2CA9CA12 | |
| SCHEMBL28644987 | 0.82 | SPHK1 (0.33) | SPHK1TP53CA1CA2CA9 | |
| SCHEMBL4604464 | 0.82 | SPHK1 (0.47) | SPHK1TSHRDNM1LPAR1LPAR3 | |
| SCHEMBL28798377 | 0.82 | SPHK1 (0.47) | SPHK1TSHRDNM1LPAR1LPAR3 | |
| SCHEMBL9807770 | 0.82 | SPHK1 (0.47) | SPHK1TSHRDNM1LPAR1LPAR3 | |
| Hydrochloric Acid SCHEMBL14892988 | 0.82 | DNM1 (0.47) | SPHK1DNM1LPAR1LPAR3 | |
| SCHEMBL4602671 | 0.82 | SPHK1 (0.47) | SPHK1TSHRDNM1LPAR1LPAR3 | |
| Hydrochloric Acid SCHEMBL7902390 | 0.80 | DNM1 (0.50) | SPHK1TSHRDNM1LPAR1LPAR3 | |
| Propionic Acid SCHEMBL20264379 | 0.78 | NAAA (0.43) | SPHK1TP53TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115244162-A | Composition comprising a colorant | 美利肯公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-115210350-A | Composition comprising a colorant | 美利肯公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-115210351-A | Composition comprising a colorant | 美利肯公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-113195824-A | N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-113167016-A | Laundry care compositions comprising N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-113166414-A | N-halamine-containing polyethyleneimine compounds and derivatives thereof | 美利肯公司 | 2021-07-23 | — | — | CN | disclosed |