Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 3/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL18034192 | 0.98 | CA2 (0.36) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL8507597 | 0.85 | THRB (0.38) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL19844941 | 0.84 | ALDH1A1 (0.37) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL10787889 | 0.79 | MMP2 (0.47) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL10700258 | 0.79 | LMNA (0.45) | CA2ALDH1A1HTTKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7923399 | 0.78 | CA2 (0.33) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL19844934 | 0.77 | LMNA (0.36) | CA2LMNAMMP1 | |
| SCHEMBL19851311 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9357417 | 0.76 | CA2 (0.56) | CA2ALDH1A1HTTKMT2ALMNA | |
| SCHEMBL8818862 | 0.76 | CA2 (0.39) | CA2ALDH1A1HTTKMT2ALMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1007595-B1 | MODIFIED CARBON PRODUCTS WITH LEAVING GROUPS FOR INKS AND COATINGS | CABOT CORP (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-1007595-A1 | MODIFIED CARBON PRODUCTS WITH LEAVING GROUPS FOR INKS AND COATINGS | CABOT CORPORATION (US) | 2000-06-14 | — | — | EP | disclosed |
| US-5968243-A | CARBON WITH ORGANIC GROUP ATTACHED SUCH AS AROMATIC OR ALKYL GROUP AND IONIZABLE | CABOT CORPORATION | 1999-10-19 | — | — | US | disclosed |
| US-5895522-A | FLEXOGRAPHY; CARBON BLACK | CABOT CORPORATION (US) | 1999-04-20 | — | — | US | disclosed |
| WO-1999007794-A1 | MODIFIED CARBON PRODUCTS WITH LEAVING GROUPS FOR INKS AND COATINGS | CABOT CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |